SCHEMBL7604249

SCHEMBL7604249

Cc1cnc(C(C)(C)C)nc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
APLNR P35414 3/20 0.41
CCR1 P32246 2/20 0.38
CCR5 P51681 2/20 0.38
CCR8 P51685 2/20 0.38
HDAC6 Q9UBN7 1/20 0.38
NOS3 P29474 2/20 0.35
NOS2 P35228 2/20 0.35
NOS1 P29475 1/20 0.33
TSHR P16473 1/20 0.33
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
SCHEMBL13556693 0.78 APLNR (0.38) APLNRCCR1CCR5CCR8HDAC6
SCHEMBL12457563 0.78 APLNR (0.43) APLNRCCR1CCR5CCR8HDAC6
SCHEMBL823816 0.77 TSHR (0.33) TSHR
SCHEMBL599774 0.74 KDM4E (0.37)
SCHEMBL254676 0.74 APLNR (0.39) APLNRCCR1CCR5CCR8HDAC6
SCHEMBL10220412 0.74 CYP19A1 (0.31)
SCHEMBL10105664 0.74 CNR1 (0.31) APLNR
SCHEMBL21695568 0.74
SCHEMBL22663608 0.74
SCHEMBL1698272 0.74 LMNA (0.36) TSHRCYP1A2

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 229 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-12037328-B2 Compounds containing benzo[d][1,3]oxathiole, benzo[d][1,3]oxathiole 3-oxide or benzo[d][1,3]oxathiole 3,3-dioxide and methods/uses thereof as agonists of G protein-coupled receptor 119 PRAMANA PHARMACEUTICALS INC. (CA) 2024-07-16 US disclosed
US-20240224783-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2024-07-04 US disclosed
US-20240224783-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2024-07-04 US disclosed
US-20240218004-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2024-07-04 US disclosed
US-20240218004-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2024-07-04 US disclosed
US-20240224782-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2024-07-04 US disclosed
US-20240209013-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2024-06-27 US disclosed
US-20240209013-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2024-06-27 US disclosed
US-20100266714-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2010-10-21 US disclosed
US-20100152203-A1 THIADIAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS CHEN LI 2010-06-17 US disclosed
US-20100099684-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY 2010-04-22 US disclosed
US-7666873-B2 N-phenyl-(2R,5S)dimethylpiperazine derivative ASTELLAS PHARMA INC. (JP) 2010-02-23 US disclosed
US-7666873-B2 N-phenyl-(2R,5S)dimethylpiperazine derivative ASTELLAS PHARMA INC. (JP) 2010-02-23 US disclosed
US-20090270405-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY 2009-10-29 US disclosed
US-20080214543-A1 N-Phenyl-(2R,5S)Dimethylpiperazine Derivative ASTELLAS PHARMA INC. (JP) 2008-09-04 US disclosed
US-20080214543-A1 N-Phenyl-(2R,5S)Dimethylpiperazine Derivative ASTELLAS PHARMA INC. (JP) 2008-09-04 US disclosed
US-7297698-B2 N-phenyl-(2R,5S) dimethylpiperazine derivative ASTELLAS PHARMA INC. (JP) 2007-11-20 US disclosed
US-7297698-B2 N-phenyl-(2R,5S) dimethylpiperazine derivative ASTELLAS PHARMA INC. (JP) 2007-11-20 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 (11 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 644/4885CCR1 1920/4885CCR5 557/4885
US-20100266714-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 APLNR 175/4885CCR1 658/4885CCR5 340/4885
US-20240238296-A1 METHODS OF REGULATING BCL11A EXPRESSION AND TREATMENT OF BCL11A-MEDIATED DISORDERS BCLAF1, EED, BCL3 APLNR 2852/4885CCR1 4564/4885CCR5 4486/4885
US-20090270405-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 APLNR 644/4885CCR1 1920/4885CCR5 557/4885
US-20100152203-A1 THIADIAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX7 APLNR 1063/4885CCR1 1310/4885CCR5 828/4885
US-20080214543-A1 N-Phenyl-(2R,5S)Dimethylpiperazine Derivative BPHL, AR, SRD5A2 APLNR 1120/4885CCR1 4864/4885CCR5 3033/4885
US-20240224783-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD2, OCIAD1, ICOSLG APLNR 3690/4885CCR1 2029/4885CCR5 770/4885
US-20240209013-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD2, SSB, L1CAM APLNR 2374/4885CCR1 744/4885CCR5 1474/4885
US-12037328-B2 Compounds containing benzo[d][1,3]oxathiole, benzo[d][1,3]oxathiole 3-oxide or benzo[d][1,3]oxathiole 3,3-dioxide and methods/uses thereof as agonists of G protein-coupled receptor 119 GPR119, GPR3, GPR39 APLNR 591/4885CCR1 1318/4885CCR5 1287/4885
US-20240224782-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES RER1, OCIAD2, OCIAD1 APLNR 1858/4885CCR1 523/4885CCR5 1613/4885
US-20240218004-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD1, OCIAD2, CCND2 APLNR 2913/4885CCR1 1531/4885CCR5 3430/4885

“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.