SCHEMBL824172

SCHEMBL824172

CN1CCC(c2ccccc2O)CC1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
QDPR P09417 2/20 0.53
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
THPO P40225 1/20 0.46
HTR6 P50406 2/20 0.44
SIGMAR1 Q99720 1/20 0.44
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM5 P08912 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43

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
SCHEMBL12393854 0.93 QDPR (0.47) QDPRCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL24519848 0.89 KDM4E (0.54) QDPRSIGMAR1
SCHEMBL29566591 0.85 QDPR (0.47) QDPRCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL24310108 0.84 QDPR (0.46) QDPRCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3992205 0.83 MEN1 (0.50) CYP1A2CYP3A4CYP2D6CYP2C9THPO
SCHEMBL929830 0.83 MEN1 (0.50) CYP1A2CYP3A4CYP2D6CYP2C9THPO
SCHEMBL5727474 0.82 DRD2 (0.48) HTR6
SCHEMBL23921755 0.82 KCNH2 (0.47) CYP2D6CHRM2CHRM4CHRM5CHRM1
SCHEMBL17368685 0.81 CYP1A2 (0.59) QDPRCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL13085385 0.80 HTR2C (0.58) HTR6SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210317134-A1 UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 7 (USP7) MODULATORS AND USES THEREOF RAPT THERAPEUTICS INC (US) 2021-10-14 US disclosed
WO-2021070090-A1 2-AZASPIRO[3.4]OCTANE DERIVATIVES AS M4 AGONISTS NOVARTIS AG (CH) 2021-04-15 WO disclosed
WO-2020021021-A1 ORTHO SUBSTITUTED PHENOXYPROPYLAMINO AND BENZYLOXYPROPYLAMINO DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS, S.A. (ES) 2020-01-30 WO disclosed
US-8143287-B2 Thrombopoietin mimetics STATEGICS, INC. (US) 2012-03-27 US disclosed
US-8143287-B2 Thrombopoietin mimetics STATEGICS, INC. (US) 2012-03-27 US disclosed
US-20100323965-A1 Thrombopoietin Mimetics STATEGICS, INC. (US) 2010-12-23 US disclosed
US-20100323965-A1 Thrombopoietin Mimetics STATEGICS, INC. (US) 2010-12-23 US disclosed
US-7786159-B2 Thrombopoietin mimetics STATEGICS, INC. (US) 2010-08-31 US disclosed
US-7786159-B2 Thrombopoietin mimetics STATEGICS, INC. (US) 2010-08-31 US disclosed
US-20080139621-A1 Thrombopoietin Mimetics STATEGICS, INC. (US) 2008-06-12 US disclosed
US-20080139621-A1 Thrombopoietin Mimetics STATEGICS, INC. (US) 2008-06-12 US disclosed
WO-2008070583-A2 THROMBOPOIETIN MIMETICS STATEGICS, INC. (US) 2008-06-12 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 (3 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-20080139621-A1 Thrombopoietin Mimetics MPL, THPO, TEK QDPR 3134/4885CYP1A2 4132/4885CYP3A4 4742/4885
US-20210317134-A1 UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 7 (USP7) MODULATORS AND USES THEREOF USP7, SENP7, USP8 QDPR 3769/4885CYP1A2 3993/4885CYP3A4 3186/4885
US-20100323965-A1 Thrombopoietin Mimetics MPL, THPO, TEK QDPR 3134/4885CYP1A2 4132/4885CYP3A4 4742/4885

“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.