SCHEMBL12964441

SCHEMBL12964441

CC(C)N1CCC2(CC1)OCc1ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.52
AVPR1A P37288 2/20 0.51
OPRD1 P41143 1/20 0.49

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
SCHEMBL12964404 0.94 SIGMAR1 (0.48) SIGMAR1AVPR1A
SCHEMBL12964401 0.94 SIGMAR1 (0.48) SIGMAR1AVPR1A
SCHEMBL14112077 0.91 SIGMAR1 (0.47) SIGMAR1AVPR1AOPRD1
SCHEMBL8553572 0.91 SIGMAR1 (0.52) SIGMAR1AVPR1AOPRD1
SCHEMBL12964451 0.85 SIGMAR1 (0.59) SIGMAR1
SCHEMBL8557116 0.84 SIGMAR1 (0.52) SIGMAR1AVPR1A
SCHEMBL6919513 0.83 SIGMAR1 (0.57) SIGMAR1OPRD1
SCHEMBL19121681 0.81 SIGMAR1 (0.59) SIGMAR1
SCHEMBL12964402 0.81 OPRL1 (0.45) SIGMAR1AVPR1A
SCHEMBL30508284 0.80 SLC6A4 (0.36) SIGMAR1AVPR1AOPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230233560-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-07-27 US disclosed
US-20230233560-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-07-27 US disclosed
US-20210052584-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-02-25 US disclosed
US-10758534-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-09-01 US disclosed
US-10669258-B2 3-sulfonyl-5-aminopyridine-2,4-diol APJ agonists BRISTOL-MYERS SQUIBB COMPANY (US) 2020-06-02 US disclosed
US-20190308948-A1 3-SULFONYL-5-AMINOPYRIDINE-2,4-DIOL APJ AGONISTS BRISTOL MYERS SQUIBB CO (US) 2019-10-10 US disclosed
US-20190269683-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-09-05 US disclosed
US-10392347-B2 2,4-dihydroxy-nicotinamides as APJ agonists BRISTOL-MYERS SQUIBB COMPANY (US) 2019-08-27 US disclosed
US-10258624-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-04-16 US disclosed
US-20190002441-A1 6-HYDROXY-4-OXO-1,4-DIHYDROPYRIMIDINE-5-CARBOXAMIDES AS APJ AGONISTS BRISTOL MYERS SQUIBB CO (US) 2019-01-03 US disclosed
US-20150152113-A1 Positive Allosteric Modulators of MGLUR2 BRISTOL-MYERS SQUIBB COMPANY 2015-06-04 US disclosed
US-20150031678-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINES, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIES DEL DR. ESTEVE S.A. (ES) 2015-01-29 US disclosed
US-8754107-B2 Aminopyrrolidines as chemokine receptor antagonists ABBVIE INC. (US) 2014-06-17 US disclosed
US-8664216-B2 Spiro-5,6-dihydro-4H-2,3,5,10b-tetraaza-benzo[e]azulenes HOFFMANN-LA ROCHE INC. (US) 2014-03-04 US disclosed
EP-2356123-B1 SPIRO-5,6-DIHYDRO-4H-2,3,5,10B-TETRAAZA-BENZO[E]AZULENES HOFFMANN LA ROCHE (CH) 2012-10-03 EP disclosed
WO-2010054961-A1 SPIRO-5,6-DIHYDRO-4H-2,3,5,10B-TETRAAZA-BENZO[E]AZULENES F. HOFFMANN-LA ROCHE AG (CH) 2010-05-20 WO disclosed
US-20100120751-A1 SPIRO-5,6-DIHYDRO-4H-2,3,5,10B-TETRAAZA-BENZO[E]AZULENES HOFFMANN-LA ROCHE, INC. 2010-05-13 US disclosed
US-20090247560-A1 Diaryl ketimine derivative BANYU PHARMACEUTICAL CO., LTD. 2009-10-01 US disclosed
US-7511062-B2 Substituted 2-quinolyl-oxazoles useful as PDE4 inhibitors SCHERING CORPORATION (US) 2009-03-31 US disclosed
US-20080176883-A1 Antiinflammtory, antiproliferative, anticancer agents; (3-Hydroxy-pyrrolidin-1-yl)-(3-trifluoromethyl-7,8-dihydro-5H-[1,6]naphthyridin-6-yl)-methanone ABBVIE INC. 2008-07-24 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 (14 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-20190002441-A1 6-HYDROXY-4-OXO-1,4-DIHYDROPYRIMIDINE-5-CARBOXAMIDES AS APJ AGONISTS AP2A1, P2RX5, AP3M1 SIGMAR1 218/4885AVPR1A 705/4885OPRD1 73/4885
US-20080176883-A1 Antiinflammtory, antiproliferative, anticancer agents; (3-Hydroxy-pyrrolidin-1-yl)-(3-trifluoromethyl-7,8-dihydro-5H-[1,6]naphthyridin-6-yl)-methanone MIF, CCL5, CCR2 SIGMAR1 244/4885AVPR1A 471/4885OPRD1 173/4885
US-20100120751-A1 SPIRO-5,6-DIHYDRO-4H-2,3,5,10B-TETRAAZA-BENZO[E]AZULENES AVPR1A, OXTR, AVPR1B SIGMAR1 123/4885AVPR1A 1/4885OPRD1 13/4885
US-20150152113-A1 Positive Allosteric Modulators of MGLUR2 GRM2, GRM1, GRIN2A SIGMAR1 161/4885AVPR1A 757/4885OPRD1 68/4885
US-10392347-B2 2,4-dihydroxy-nicotinamides as APJ agonists NADK, VDR, P2RY2 SIGMAR1 3009/4885AVPR1A 821/4885OPRD1 1013/4885
US-20210052584-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 SIGMAR1 764/4885AVPR1A 842/4885OPRD1 581/4885
US-20230233560-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 SIGMAR1 764/4885AVPR1A 842/4885OPRD1 581/4885
US-20090247560-A1 Diaryl ketimine derivative NR0B2, NR2C2, NR3C2 SIGMAR1 1623/4885AVPR1A 364/4885OPRD1 808/4885
US-20150031678-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINES, THEIR PREPARATION AND USE AS MEDICAMENTS SIGMAR1, P2RX5, P2RY1 SIGMAR1 1/4885AVPR1A 447/4885OPRD1 21/4885
US-10669258-B2 3-sulfonyl-5-aminopyridine-2,4-diol APJ agonists AP3D1, KCNJ5, TBXA2R SIGMAR1 478/4885AVPR1A 486/4885OPRD1 135/4885
US-20190308948-A1 3-SULFONYL-5-AMINOPYRIDINE-2,4-DIOL APJ AGONISTS AP3D1, KCNJ5, TBXA2R SIGMAR1 478/4885AVPR1A 486/4885OPRD1 135/4885
US-10258624-B2 Modulators of cystic fibrosis transmembrane conductance regulator CFTR, SCNN1B, SLC26A4 SIGMAR1 764/4885AVPR1A 842/4885OPRD1 581/4885
US-20190269683-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 SIGMAR1 764/4885AVPR1A 842/4885OPRD1 581/4885
US-10758534-B2 Modulators of cystic fibrosis transmembrane conductance regulator CFTR, SCNN1B, SLC26A4 SIGMAR1 764/4885AVPR1A 842/4885OPRD1 581/4885

“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.