SCHEMBL6233504

SCHEMBL6233504

NCc1ccc2ccc(F)cc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.56
CYP2A6 P11509 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP19A1 P11511 1/20 0.47
TAAR1 Q96RJ0 2/20 0.47
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA3 P07451 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA5A P35218 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
CA5B Q9Y2D0 1/20 0.43
ASIC3 Q9UHC3 1/20 0.42
MAOB P27338 4/20 0.41
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40

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
SCHEMBL5802078 0.93 LOXL2 (0.58) LOXL2CYP2A6CYP1A2CYP19A1TAAR1
Hydrochloric Acid SCHEMBL5958041 0.91 LOXL2 (0.56) LOXL2CYP2A6CYP1A2CYP19A1TAAR1
SCHEMBL17907448 0.86 CYP2A6 (0.52) LOXL2CYP2A6CYP1A2TAAR1CA12
SCHEMBL29463734 0.86 CYP2A6 (0.52) LOXL2CYP2A6CYP1A2TAAR1CA12
SCHEMBL6959233 0.78 CYP1A2 (0.48) LOXL2CYP2A6CYP1A2CYP19A1SLC6A4
SCHEMBL8499490 0.78 CYP1A2 (0.48) CYP2A6CYP1A2CYP19A1CA12CA2
SCHEMBL8499487 0.78 CYP1A2 (0.48) LOXL2CYP2A6CYP1A2CYP19A1SLC6A4
SCHEMBL14604942 0.78 CYP1A2 (0.59) CYP2A6CYP1A2CYP19A1SLC6A4SLC6A3
SCHEMBL9016348 0.78 ASIC3 (0.57) LOXL2CYP2A6CYP1A2TAAR1CA12
SCHEMBL29936739 0.78 CYP1A2 (0.72) CYP2A6CYP1A2CYP19A1CA3CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2657214-B1 PROCESS FOR PRODUCTION OF AROMATIC ALCOHOL OR HETEROCYCLIC AROMATIC ALCOHOL MITSUBISHI GAS CHEMICAL CO (JP) 2017-02-15 EP disclosed
US-8993774-B2 Process for production of aromatic alcohol or heterocyclic aromatic alcohol MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2015-03-31 US disclosed
US-20130303775-A1 PROCESS FOR PRODUCTION OF AROMATIC ALCOHOL OR HETEROCYCLIC AROMATIC ALCOHOL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2013-11-14 US disclosed
EP-2657214-A1 PROCESS FOR PRODUCTION OF AROMATIC ALCOHOL OR HETEROCYCLIC AROMATIC ALCOHOL Mitsubishi Gas Chemical Company, Inc. (JP) 2013-10-30 EP disclosed
WO-2004089903-A9 PIPERIDINE DERIVATIVES AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION WARNER LAMBERT CO (US) 2005-10-27 WO disclosed
US-20040204455-A1 Piperidine derivative rennin inhibitors WARNER-LAMBERT COMPANY LLC 2004-10-14 US 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-20040204455-A1 Piperidine derivative rennin inhibitors REN, ACE, HPN LOXL2 3974/4885CYP2A6 4004/4885CYP1A2 2821/4885
US-20130303775-A1 PROCESS FOR PRODUCTION OF AROMATIC ALCOHOL OR HETEROCYCLIC AROMATIC ALCOHOL ADH1C, ADH1A, ADH5 LOXL2 3456/4885CYP2A6 278/4885CYP1A2 98/4885

“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.