SCHEMBL1504538

SCHEMBL1504538

CCOC(=O)c1cc2ccc(Cl)cc2nn1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.50
▸ CYP1A2 P05177 1/20 0.47
▸ GABRA2 P47869 11/20 0.47
▸ GABRB2 P47870 11/20 0.47
▸ ADORA2A P29274 1/20 0.46
▸ MAPT P10636 2/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ KDM4E B2RXH2 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
Hydrochloric Acid SCHEMBL28410234 0.99 ALOX15 (0.49) ALOX15CYP1A2GABRA2GABRB2ADORA2A
SCHEMBL30688572 0.84 CA12 (0.49) CYP1A2MAPTKDM4E
SCHEMBL13905447 0.84 CA12 (0.49) CYP1A2MAPTKDM4E
SCHEMBL27613559 0.82 CYP1A2 (0.54) ALOX15CYP1A2GABRA2GABRB2ADORA2A
SCHEMBL13905450 0.82 KDM4E (0.53) CYP1A2GABRA2GABRB2MAPTHSD17B10
SCHEMBL8830040 0.81 CYP1A2 (0.56) CYP1A2GABRA2GABRB2MAPTKDM4E
SCHEMBL1503948 0.78 PIK3CG (0.42) GABRA2GABRB2HSD17B10
SCHEMBL6824675 0.77 KDM4E (0.54) ALOX15GABRA2GABRB2ADORA2AMAPT
SCHEMBL21885348 0.77 ALOX15 (0.50) ALOX15CYP1A2GABRA2GABRB2MAPT
SCHEMBL21885738 0.77 ALOX15 (0.50) ALOX15CYP1A2GABRA2GABRB2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111630051-B Olefin spiro compounds as farnesol X receptor modulators 百时美施贵宝公司 2023-12-26 — — CN disclosed
EP-3704112-B1 ALKENE SPIROCYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2023-09-27 — — EP disclosed
EP-3704114-B1 SPIROCYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2022-11-23 — — EP disclosed
US-11286252-B2 Alkene spirocyclic compounds as farnesoid X receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2022-03-29 — — US disclosed
US-11078198-B2 Spirocyclic compounds as farnesoid X receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2021-08-03 — — US disclosed
US-20210179599-A1 ALKENE SPIROCYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2021-06-17 — — US disclosed
EP-3704114-A1 SPIROCYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS Bristol-Myers Squibb Company (US) 2020-09-09 — — EP disclosed
EP-3704112-A1 ALKENE SPIROCYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS Bristol-Myers Squibb Company (US) 2020-09-09 — — EP disclosed
CN-111630051-A Spirocyclic compounds of alkenes as farnesoid X receptor modulators 百时美施贵宝公司 2020-09-04 — — CN disclosed
US-20190127362-A1 SPIROCYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2019-05-02 — — US disclosed
US-20080015215-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-01-17 — — US disclosed
US-20080015215-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-01-17 — — US disclosed
US-20080015215-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-01-17 — — US disclosed
US-20060252837-A1 Cyclic diamine derivatives useful as agents for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism; inhibit activated blood coagulation factor X DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-11-09 — — US disclosed
US-20050245565-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-03 — — US disclosed
EP-1577301-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 — — EP disclosed
US-20050119486-A1 Diamine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2005-06-02 — — US disclosed
US-20050020645-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-01-27 — — US disclosed
EP-1415992-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 — — EP disclosed
EP-1405852-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-07 — — EP 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 (9 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-20190127362-A1 SPIROCYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS NR1H4, FXR1, NR1H2 ALOX15 418/4885CYP1A2 769/4885GABRA2 2003/4885
US-11078198-B2 Spirocyclic compounds as farnesoid X receptor modulators NR1H4, FXR1, NR1H2 ALOX15 418/4885CYP1A2 769/4885GABRA2 2003/4885
US-20060252837-A1 Cyclic diamine derivatives useful as agents for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism; inhibit activated blood coagulation factor X F2, C1S, C9 ALOX15 838/4885CYP1A2 3257/4885GABRA2 1789/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R ALOX15 872/4885CYP1A2 2631/4885GABRA2 2235/4885
US-20080015215-A1 DIAMINE DERIVATIVES C9, C1S, C1R ALOX15 872/4885CYP1A2 2631/4885GABRA2 2235/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R ALOX15 872/4885CYP1A2 2631/4885GABRA2 2235/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R ALOX15 872/4885CYP1A2 2631/4885GABRA2 2235/4885
US-11286252-B2 Alkene spirocyclic compounds as farnesoid X receptor modulators NR1H2, NR1H4, NR1H3 ALOX15 347/4885CYP1A2 488/4885GABRA2 1472/4885
US-20210179599-A1 ALKENE SPIROCYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS NR1H2, NR1H4, NR1H3 ALOX15 347/4885CYP1A2 488/4885GABRA2 1472/4885

“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.

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