SCHEMBL12970534

SCHEMBL12970534

Clc1ccncc1C1CC1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 9/20 0.42
TRPV6 Q9H1D0 1/20 0.42
GAA P10253 1/20 0.40
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36

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
SCHEMBL29544984 1.00 CYP17A1 (0.42) CYP17A1TRPV6GAACYP11B1CYP11B2
Cyanide SCHEMBL28228143 0.94 CYP17A1 (0.40) CYP17A1TRPV6GAACYP11B1CYP11B2
SCHEMBL31358181 0.92 CYP17A1 (0.40) CYP17A1TRPV6GAACYP11B2CHRNB2
Formic Acid SCHEMBL28041269 0.89 CYP17A1 (0.40) CYP17A1TRPV6KDM4C
SCHEMBL15528775 0.82 CHRNB2 (0.44) GAACHRNB2CHRNA4
SCHEMBL29246854 0.75 GAA (0.38) CYP17A1GAACHRNB2CHRNA4
SCHEMBL20334567 0.74 CHRNB2 (0.36) CYP17A1CYP11B2CHRNB2CHRNA4
SCHEMBL29079894 0.74 CHRNB2 (0.36) CYP17A1CYP11B2CHRNB2CHRNA4
SCHEMBL10079573 0.74 OPRL1 (0.55) CYP17A1CYP11B1CYP11B2CHRNB2CHRNA4
SCHEMBL19959516 0.74 GAA (0.45) CYP17A1GAAKDM4CCHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240150293-A1 SPIROCYCLOHEXANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS ANTI-APOPTOTIC INHIBITORS VERNALIS (R&D) LTD (GB) 2024-05-09 US disclosed
EP-4277892-A1 SPIROCYCLOHEXANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS ANTI-APOPTOTIC INHIBITORS Les Laboratoires Servier (FR) 2023-11-22 EP disclosed
CN-116940552-A Spirocyclic hexane derivatives, pharmaceutical compositions containing them and their use as anti-apoptotic inhibitors 法国施维雅药厂 2023-10-24 CN disclosed
WO-2022152705-A1 SPIROCYCLOHEXANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS ANTI-APOPTOTIC INHIBITORS LES LABORATOIRES SERVIER (FR) 2022-07-21 WO disclosed
WO-2022072634-A1 BICYCLIC COMPOUNDS FOR USE IN THE TREATMENT CANCER SCORPION THERAPEUTICS, INC. (US) 2022-04-07 WO disclosed
US-20190248803-A1 NOVEL PYRIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2019-08-15 US disclosed
US-20190248803-A1 NOVEL PYRIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2019-08-15 US disclosed
US-10308659-B2 Pyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2019-06-04 US disclosed
US-10308659-B2 Pyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2019-06-04 US disclosed
EP-2978755-B1 NOVEL PYRIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2018-01-03 EP disclosed
US-20160016968-A1 NOVEL PYRIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2016-01-21 US disclosed
US-20150344429-A1 PYRIDINE-2-AMIDES USEFUL AS CB2 AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2015-12-03 US disclosed
US-20150344429-A1 PYRIDINE-2-AMIDES USEFUL AS CB2 AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2015-12-03 US disclosed
US-20150344429-A1 PYRIDINE-2-AMIDES USEFUL AS CB2 AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2015-12-03 US disclosed
EP-2928867-A1 PYRIDINE-2-AMIDES USEFUL AS CB2 AGONISTS F. Hoffmann-La Roche AG (CH) 2015-10-14 EP disclosed
WO-2014154612-A1 NOVEL PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2014-10-02 WO disclosed
WO-2014154612-A1 NOVEL PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2014-10-02 WO disclosed
WO-2014086805-A1 PYRIDINE-2-AMIDES USEFUL AS CB2 AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2014-06-12 WO disclosed
WO-2014086805-A1 PYRIDINE-2-AMIDES USEFUL AS CB2 AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2014-06-12 WO disclosed
WO-2012133607-A1 PYRAZOLE COMPOUND アステラス製薬株式会社 (JP) 2012-10-04 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-20240150293-A1 SPIROCYCLOHEXANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS ANTI-APOPTOTIC INHIBITORS BCL2, BAX, BCL2A1 CYP17A1 434/4885TRPV6 1391/4885GAA 1990/4885
US-20150344429-A1 PYRIDINE-2-AMIDES USEFUL AS CB2 AGONISTS CNR2, CNR1, GPR52 CYP17A1 2028/4885TRPV6 256/4885GAA 4449/4885
US-10308659-B2 Pyridine derivatives NDUFS6, NDUFS4, NDUFS8 CYP17A1 959/4885TRPV6 2038/4885GAA 3070/4885
US-20160016968-A1 NOVEL PYRIDINE DERIVATIVES NDUFS6, NDUFS4, NDUFV1 CYP17A1 1555/4885TRPV6 1353/4885GAA 3130/4885
US-20190248803-A1 NOVEL PYRIDINE DERIVATIVES NDUFS6, NDUFS4, NDUFV1 CYP17A1 1555/4885TRPV6 1353/4885GAA 3130/4885

“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.