SCHEMBL10128587

SCHEMBL10128587

CCN1CC2(CCNCC2)C1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.60
CYP2D6 P10635 9/20 0.46
ALDH1A1 P00352 5/20 0.38
HPGD P15428 3/20 0.38
HSD17B10 Q99714 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM1A O60341 1/20 0.37
MAOB P27338 1/20 0.37
RCOR1 Q9UKL0 1/20 0.37
CYP3A4 P08684 4/20 0.37
CYP2C19 P33261 2/20 0.37
USP2 O75604 3/20 0.36
CYP1A2 P05177 3/20 0.36
CYP2C9 P11712 2/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TP53 P04637 2/20 0.35
HIF1A Q16665 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL4070889 0.86 TSHR (0.72) TSHRCYP2D6ALDH1A1SMN1; SMN2KDM1A
SCHEMBL3811219 0.85 TSHR (0.76) TSHRCYP2D6ALDH1A1HPGDSMN1; SMN2
SCHEMBL347130 0.82 TSHR (0.47) TSHRCYP2D6ALDH1A1HPGDHSD17B10
SCHEMBL22307924 0.82
SCHEMBL20353639 0.81 TSHR (0.61) TSHRCYP2D6ALDH1A1HPGDHSD17B10
SCHEMBL10268129 0.79 TSHR (0.63) TSHRCYP2D6ALDH1A1HPGDKDM1A
SCHEMBL19251154 0.77
SCHEMBL19490742 0.77 TSHR (0.41) TSHR
SCHEMBL1509491 0.77 TSHR (0.96) TSHRCYP2D6ALDH1A1HPGDHSD17B10
SCHEMBL25653952 0.77 GNAO1 (0.45) TSHRCYP2D6

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024151557-A1 MODULATORS OF BCL6 PROTEOLYSIS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. (US) 2024-07-18 WO disclosed
US-20230310428-A1 EGFR INHIBITOR AND PREPARATION METHOD AND USE THEREOF Hongyun Biotech Co., Ltd. (CN) 2023-10-05 US disclosed
US-11760764-B2 Methods and compositions for targeting PD-L1 ALIGOS THERAPEUTICS, INC. (US) 2023-09-19 US disclosed
US-20230242544-A1 QUINAZOLINE COMPOUNDS, PREPARATION METHODS AND USES THEREOF InventisBio Co., Ltd. (CN) 2023-08-03 US disclosed
WO-2023129933-A2 6,6-FUSED HETEROCYCLIC COMPOUNDS AS METTL3 INHIBITORS 858 THERAPEUTICS, INC. (US) 2023-07-06 WO disclosed
WO-2023088406-A1 FUSED IMIDE DERIVATIVE 正大天晴药业集团股份有限公司 2023-05-25 WO disclosed
US-20230133671-A1 SETD2 INHIBITORS AND RELATED METHODS AND USES, INCLUDING COMBINATION THERAPIES Epizyme, Inc. (US) 2023-05-04 US disclosed
US-20230052017-A1 New compounds for treatment of diseases related to DUX4 expression Facio Intellectual Property B.V. (NL) 2023-02-16 US disclosed
US-20220395576-A1 MODULATORS OF BCL6 PROTEOLYSIS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. 2022-12-15 US disclosed
WO-2022253250-A1 BRUTON'S TYROSINE KINASE DEGRADER CONTAINING FUSED-RING OR SPIRO-RING 正大天晴药业集团股份有限公司 2022-12-08 WO disclosed
WO-2020252043-A1 5H-PYRROLO[3,2-d]PYRIMIDINE-2,4-DIAMINO COMPOUNDS AND ANTIBODY CONJUGATES THEREOF SUTRO BIOPHARMA, INC. (US) 2020-12-17 WO disclosed
WO-2020252015-A1 IMMUNOMODULATOR ANTIBODY DRUG CONJUGATES AND USES THEREOF SUTRO BIOPHARMA, INC. (US) 2020-12-17 WO disclosed
WO-2020156323-A1 IMMUNOMODULATORS, COMPOSITIONS AND METHODS THEREOF BETTA PHARMACEUTICALS CO., LTD (CN) 2020-08-06 WO disclosed
WO-2020037079-A1 SUBSTITUTED INDOLES AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2020-02-20 WO disclosed
EP-3288931-B1 CERTAIN PROTEIN KINASE INHIBITOR CHONGQING FOCHON PHARMACEUTICAL CO LTD (CN) 2019-11-06 EP disclosed
EP-3298017-B1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY HOFFMANN LA ROCHE (CH) 2019-08-14 EP disclosed
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-08-10 US disclosed
WO-2017120164-A1 FUSED QUADRACYCLIC COMPOUNDS, COMPOSITIONS AND USES THEREOF Tabomedex Biosciences, LLC (US) 2017-07-13 WO disclosed
US-20120010186-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2012-01-12 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 (8 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-20230310428-A1 EGFR INHIBITOR AND PREPARATION METHOD AND USE THEREOF EGFR, ERBB2, ERBB4 TSHR 1374/4885CYP2D6 880/4885ALDH1A1 3822/4885
US-20230242544-A1 QUINAZOLINE COMPOUNDS, PREPARATION METHODS AND USES THEREOF KRAS, NRAS, HRAS TSHR 4045/4885CYP2D6 1861/4885ALDH1A1 1817/4885
US-11760764-B2 Methods and compositions for targeting PD-L1 CD274, PDCD1LG2, PDCD1 TSHR 2323/4885CYP2D6 2611/4885ALDH1A1 301/4885
US-20220395576-A1 MODULATORS OF BCL6 PROTEOLYSIS AND ASSOCIATED METHODS OF USE BCL6, BCL6B, BCL3 TSHR 3100/4885CYP2D6 4179/4885ALDH1A1 3862/4885
US-20120010186-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE SCD, SCD5, FASN TSHR 3261/4885CYP2D6 942/4885ALDH1A1 544/4885
US-20230052017-A1 New compounds for treatment of diseases related to DUX4 expression SMN1; SMN2, UTRN, DDX21 TSHR 4117/4885CYP2D6 4451/4885ALDH1A1 2332/4885
US-20230133671-A1 SETD2 INHIBITORS AND RELATED METHODS AND USES, INCLUDING COMBINATION THERAPIES EZH2, HDAC2, SETD2 TSHR 2768/4885CYP2D6 4097/4885ALDH1A1 4808/4885
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 TSHR 2621/4885CYP2D6 340/4885ALDH1A1 1339/4885

“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.