SCHEMBL9158372

SCHEMBL9158372

CCCC#Cc1ccc(Br)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.44
GABRD O14764 1/20 0.44
GABRA1 P14867 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
GABRA2 P47869 1/20 0.44
GABRB2 P47870 1/20 0.44
GABRA4 P48169 1/20 0.44
GABRE P78334 1/20 0.44
GABRA6 Q16445 1/20 0.44
GABRG1 Q8N1C3 1/20 0.44
GABRG3 Q99928 1/20 0.44
GABRQ Q9UN88 1/20 0.44
PYCR1 P32322 1/20 0.41
HAO1 Q9UJM8 1/20 0.38
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38

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
SCHEMBL8623675 0.98 GABRP (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4623168 0.88 FFAR1 (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6937078 0.84 FFAR1 (0.55) PYCR1FFAR1FFAR4KCNH2MMP2
SCHEMBL1897376 0.84 FFAR1 (0.55) PYCR1FFAR1FFAR4KCNH2MMP2
SCHEMBL4621099 0.82 PYCR1 (0.40) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL797749 0.82 FFAR1 (0.40) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL15588318 0.80 FFAR1 (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28377872 0.80 KCNH2 (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4385059 0.78 APP (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6045084 0.78 GABRP (0.44) GABRPGABRDGABRA1GABRB1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067605-B2 Process for production of piperidine derivatives ALBANY MOLECULAR RESEARCH, INC. (US) 2011-11-29 US disclosed
US-8067604-B2 Process for production of carebastine ALBANY MOLECULAR RESEARCH, INC. (US) 2011-11-29 US disclosed
US-20110071295-A1 PROCESS FOR PRODUCTION OF PIPERIDINE DERIVATIVES ALBANY MOLECULAR RESEARCH, INC. (US) 2011-03-24 US disclosed
US-20110065923-A1 PROCESS FOR PRODUCTION OF CAREBASTINE ALBANY MOLECULAR RESEARCH, INC. (US) 2011-03-17 US disclosed
EP-0453503-B1 PHENYL NAPHTHALENES HAVING LIQUID CRYSTALLINE PROPERTIES SECR DEFENCE BRIT (GB) 1995-03-22 EP disclosed
US-5252253-A Phenyl naphthalenes having liquid crystalline properties THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 1993-10-12 US disclosed
EP-0295056-B1 ANTI-INFLAMMATORY FURANONES ALLERGAN, INC (US) 1992-08-05 EP disclosed
US-5134128-A Immunosuppressive and antiproliferative activity for psoriasis and calcium homeostasis ALLERGAN, INC. (US) 1992-07-28 US disclosed
EP-0453503-A1 PHENYL NAPHTHALENES HAVING LIQUID CRYSTALLINE PROPERTIES. SECR DEFENCE BRIT (GB) 1991-10-30 EP disclosed
WO-1990008119-A1 PHENYL NAPHTHALENES HAVING LIQUID CRYSTALLINE PROPERTIES THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 1990-07-26 WO disclosed
EP-0295056-A1 Anti-inflammatory furanones ALLERGAN, INC (US) 1988-12-14 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 (2 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-20110071295-A1 PROCESS FOR PRODUCTION OF PIPERIDINE DERIVATIVES HADHB, CPT1B, PDHB GABRP 10/4885GABRD 67/4885GABRA1 158/4885
US-20110065923-A1 PROCESS FOR PRODUCTION OF CAREBASTINE GABRE, GABRB3, GABRB2 GABRP 8/4885GABRD 24/4885GABRA1 43/4885

“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.