SCHEMBL631425

SCHEMBL631425

O=C1CCC2(CC1)OCc1ccccc12

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 8/20 0.51
GRIN1 Q05586 1/20 0.48
GRIN2B Q13224 1/20 0.48
SIGMAR1 Q99720 1/20 0.47

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
SCHEMBL30407649 1.00 AVPR1A (0.51) AVPR1AGRIN1GRIN2BSIGMAR1
SCHEMBL6355582 0.87 AVPR1A (0.42) AVPR1AGRIN1GRIN2B
SCHEMBL9615977 0.85 SIGMAR1 (0.54) AVPR1ASIGMAR1
SCHEMBL6346561 0.84 SIGMAR1 (0.55) AVPR1ASIGMAR1
SCHEMBL16546758 0.82 SIGMAR1 (0.47) AVPR1ASIGMAR1
SCHEMBL30389740 0.79 SIGMAR1 (0.50) SIGMAR1
SCHEMBL11328335 0.79 SIGMAR1 (0.50) SIGMAR1
SCHEMBL3400315 0.78 SIGMAR1 (0.49) AVPR1ASIGMAR1
SCHEMBL29790950 0.78 SIGMAR1 (0.49) AVPR1ASIGMAR1
SCHEMBL6819933 0.78 AVPR1A (0.46) AVPR1AGRIN1GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116640094-A Compounds as PRMT1 inhibitors and uses thereof 南京圣和药业股份有限公司 2023-08-25 CN disclosed
US-20230257371-A1 CYCLIC CYANOENONE DERIVATIVES AS MODULATORS OF KEAP1 MERCK SHARP & DOHME LLC (US) 2023-08-17 US disclosed
WO-2023081666-A1 COMPOUNDS AS CCR2 MODULATORS ARIA PHARMACEUTICALS, INC. (US) 2023-05-11 WO disclosed
WO-2023081666-A1 COMPOUNDS AS CCR2 MODULATORS ARIA PHARMACEUTICALS, INC. (US) 2023-05-11 WO disclosed
US-11203592-B2 Inhibitors of indoleamine 2,3-dioxygenase and methods of their use BRISTOL-MYERS SQUIBB COMPANY (US) 2021-12-21 US disclosed
US-11203592-B2 Inhibitors of indoleamine 2,3-dioxygenase and methods of their use BRISTOL-MYERS SQUIBB COMPANY (US) 2021-12-21 US disclosed
US-20210221806-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE BRISTOL-MYERS SQUIBB COMPANY 2021-07-22 US disclosed
US-20210221806-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE BRISTOL-MYERS SQUIBB COMPANY 2021-07-22 US disclosed
WO-2019074824-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE BRISTOL-MYERS SQUIBB COMPANY (US) 2019-04-18 WO disclosed
EP-2419418-B1 4-AZETIDINYL-1-HETEROATOM LINKED-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2015-04-15 EP disclosed
EP-1565436-A4 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORP (US) 2007-07-18 EP disclosed
US-20060252751-A1 3-Aminopyrrolidine derivaties as modulators of chemokine receptors INCYTE HOLDINGS CORPORATION 2006-11-09 US disclosed
WO-2006092731-A1 1, 2, 4-TRIAZOLE DERIVATIVES AND THEIR USE AS OXYTOCIN ANTAGONISTS PFIZER LIMTED (GB) 2006-09-08 WO disclosed
EP-0925291-B1 SPIROCYCLIC DOPAMINE RECEPTOR SUBTYPE LIGANDS PFIZER (US) 2005-11-30 EP disclosed
US-20050261327-A1 2-(Bicyclo)alkylamino-derivatives as mediatores of chronic pain and inflammation MERCK & CO., INC. 2005-11-24 US disclosed
EP-1565436-A2 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2005-08-24 EP disclosed
WO-2004050024-A2 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2004-06-17 WO disclosed
US-6664258-B1 Transphenylpiperazines; central dopaminergic activity PFIZER INC 2003-12-16 US disclosed
EP-0925291-A1 SPIROCYCLIC DOPAMINE RECEPTOR SUBTYPE LIGANDS PFIZER INC. (US) 1999-06-30 EP disclosed
WO-1998008835-A1 SPIROCYCLIC DOPAMINE RECEPTOR SUBTYPE LIGANDS PFIZER INC. (US) 1998-03-05 WO 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 (5 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-20060252751-A1 3-Aminopyrrolidine derivaties as modulators of chemokine receptors CCR2, CXCR3, CCR5 AVPR1A 300/4885GRIN1 494/4885GRIN2B 942/4885
US-20050261327-A1 2-(Bicyclo)alkylamino-derivatives as mediatores of chronic pain and inflammation BDKRB1, BDKRB2, LTB4R2 AVPR1A 157/4885GRIN1 372/4885GRIN2B 168/4885
US-11203592-B2 Inhibitors of indoleamine 2,3-dioxygenase and methods of their use IDO1, IDO2, INMT AVPR1A 2969/4885GRIN1 1518/4885GRIN2B 1584/4885
US-20210221806-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE IDO1, IDO2, INMT AVPR1A 2969/4885GRIN1 1518/4885GRIN2B 1584/4885
US-20230257371-A1 CYCLIC CYANOENONE DERIVATIVES AS MODULATORS OF KEAP1 KEAP1, NFE2L2, NQO1 AVPR1A 1257/4885GRIN1 3583/4885GRIN2B 3988/4885

“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.