SCHEMBL6370770

SCHEMBL6370770

Cc1ccc(C(C)(C)C)nn1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.38
TSHR P16473 2/20 0.36
ALDH1A1 P00352 3/20 0.33
HTT P42858 2/20 0.32
USP2 O75604 1/20 0.32
ALOX15 P16050 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MEN1 O00255 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CCR1 P32246 1/20 0.31
RAB9A P51151 1/20 0.31
CCR5 P51681 1/20 0.31
CCR9 P51686 1/20 0.30
CYP1A2 P05177 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL47578 0.86 TSHR (0.38) TSHRALDH1A1MEN1HPGDKMT2A
SCHEMBL22065530 0.80 APLNR (0.35) APLNR
SCHEMBL14878496 0.80 APLNR (0.35) APLNRALDH1A1MEN1KMT2A
SCHEMBL12668141 0.78 TSHR (0.33) TSHRALDH1A1
SCHEMBL335132 0.77 HSP90AA1 (0.39) APLNRHTTMEN1KMT2A
SCHEMBL19497733 0.77 APLNR (0.33) APLNR
SCHEMBL22861183 0.77 APLNR (0.33) APLNR
SCHEMBL29549138 0.76
SCHEMBL310954 0.76
SCHEMBL18401507 0.74 TSHR (0.31) TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 138 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240238296-A1 METHODS OF REGULATING BCL11A EXPRESSION AND TREATMENT OF BCL11A-MEDIATED DISORDERS FULCRUM THERAPEUTICS INC (US) 2024-07-18 US disclosed
US-20240238296-A1 METHODS OF REGULATING BCL11A EXPRESSION AND TREATMENT OF BCL11A-MEDIATED DISORDERS FULCRUM THERAPEUTICS INC (US) 2024-07-18 US disclosed
US-20230372372-A1 COMBINATION THERAPIES USING CASPASE-1 DEPENDENT ANTICANCER AGENTS AND PGE2 ANTAGONISTS TRUSTEES OF TUFTS COLLEGE 2023-11-23 US disclosed
US-20230339958-A1 NON-HYDRATED KETONE INHIBITORS OF NAV1.7 FOR THE TREATMENT OF PAIN SITEONE THERAPEUTICS, INC. 2023-10-26 US disclosed
US-20230340055-A1 GLYCOSYLATED IL-2 PROTEINS AND USES THEREOF Ascendis Pharma Oncology Division A/S (DK) 2023-10-26 US disclosed
US-20230339958-A1 NON-HYDRATED KETONE INHIBITORS OF NAV1.7 FOR THE TREATMENT OF PAIN SITEONE THERAPEUTICS, INC. 2023-10-26 US disclosed
US-11771684-B2 Inhibitors of dihydroceramide desaturase for treating disease CENTAURUS THERAPEUTICS (US) 2023-10-03 US disclosed
US-11752155-B2 Treatment of autism spectrum disorders, obsessive-compulsive disorder and anxiety disorders RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2023-09-12 US disclosed
US-11746100-B2 Cycloalkyl pyrimidines as ferroportin inhibitors GLOBAL BLOOD THERAPEUTICS, INC. (US) 2023-09-05 US disclosed
US-20230227445-A1 BENZAMIDE COMPOUND AND USE THEREOF HUMANWELL HEALTHCARE (GROUP) CO., LTD. (CN) 2023-07-20 US disclosed
US-20100099684-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY 2010-04-22 US disclosed
US-20100022550-A1 TETRAHYDROCARBAZOLE DERIVATIVES USEFUL AS ANDROGEN RECEPTOR MODULATORS CELLECTIS (FR) 2010-01-28 US disclosed
US-20100022550-A1 TETRAHYDROCARBAZOLE DERIVATIVES USEFUL AS ANDROGEN RECEPTOR MODULATORS CELLECTIS (FR) 2010-01-28 US disclosed
US-20090270405-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY 2009-10-29 US disclosed
US-20090163502-A1 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC 2009-06-25 US disclosed
US-20090005391-A1 Tricyclo Substituted Amides PROSIDION LIMITED (GB) 2009-01-01 US disclosed
US-20080293730-A1 Tricyclo Substituted Amides PROSIDION LIMITED (GB) 2008-11-27 US disclosed
US-7351841-B2 Heterocyclic compounds and thrombopoietin receptor activators NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2008-04-01 US disclosed
US-7351841-B2 Heterocyclic compounds and thrombopoietin receptor activators NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2008-04-01 US disclosed
US-20070027321-A1 Bipyridyl amines and ethers as modulators of metabotropic glutamate receptor-5 MERCK SHARP & DOHME CORP. 2007-02-01 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (15 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100099684-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 APLNR 644/4885TSHR 372/4885ALDH1A1 1082/4885
US-20230340055-A1 GLYCOSYLATED IL-2 PROTEINS AND USES THEREOF IL2, IL1A, ILF2 APLNR 2958/4885TSHR 2356/4885ALDH1A1 2442/4885
US-20090005391-A1 Tricyclo Substituted Amides GPR119, SLC5A2, SLC5A1 APLNR 2726/4885TSHR 787/4885ALDH1A1 1685/4885
US-11771684-B2 Inhibitors of dihydroceramide desaturase for treating disease CERS2, DEGS1, SMPD1 APLNR 2486/4885TSHR 3828/4885ALDH1A1 647/4885
US-20230227445-A1 BENZAMIDE COMPOUND AND USE THEREOF P2RX3, P2RX4, P2RX7 APLNR 2288/4885TSHR 1521/4885ALDH1A1 1182/4885
US-20090163502-A1 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists P2RX3, P2RX2, P2RX7 APLNR 509/4885TSHR 119/4885ALDH1A1 2409/4885
US-20240238296-A1 METHODS OF REGULATING BCL11A EXPRESSION AND TREATMENT OF BCL11A-MEDIATED DISORDERS BCLAF1, EED, BCL3 APLNR 2852/4885TSHR 3891/4885ALDH1A1 2107/4885
US-20090270405-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 APLNR 644/4885TSHR 372/4885ALDH1A1 1082/4885
US-11746100-B2 Cycloalkyl pyrimidines as ferroportin inhibitors HAMP, SLC40A1, FANCI APLNR 2455/4885TSHR 2165/4885ALDH1A1 1674/4885
US-20230372372-A1 COMBINATION THERAPIES USING CASPASE-1 DEPENDENT ANTICANCER AGENTS AND PGE2 ANTAGONISTS CASP1, CASP2, APAF1 APLNR 1744/4885TSHR 4340/4885ALDH1A1 1198/4885
US-20080293730-A1 Tricyclo Substituted Amides GPR119, SLC5A2, SLC5A1 APLNR 2741/4885TSHR 827/4885ALDH1A1 1754/4885
US-20070027321-A1 Bipyridyl amines and ethers as modulators of metabotropic glutamate receptor-5 GRM5, GRIK5, GRM1 APLNR 356/4885TSHR 692/4885ALDH1A1 2178/4885
US-20230339958-A1 NON-HYDRATED KETONE INHIBITORS OF NAV1.7 FOR THE TREATMENT OF PAIN SCN7A, SCN10A, HCN3 APLNR 2550/4885TSHR 4297/4885ALDH1A1 2668/4885
US-20100022550-A1 TETRAHYDROCARBAZOLE DERIVATIVES USEFUL AS ANDROGEN RECEPTOR MODULATORS AR, SHBG, CYP17A1 APLNR 1578/4885TSHR 1608/4885ALDH1A1 1070/4885
US-11752155-B2 Treatment of autism spectrum disorders, obsessive-compulsive disorder and anxiety disorders GRIN2A, GRIN1, GRIN2B APLNR 260/4885TSHR 1412/4885ALDH1A1 798/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.