SCHEMBL4017223

SCHEMBL4017223

NC(Cc1ccccc1)c1ccc2ccccc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 9/20 0.55
SLC6A4 P31645 8/20 0.55
SLC6A3 Q01959 8/20 0.55
KCNH2 Q12809 6/20 0.55
CYP2D6 P10635 6/20 0.55
CYP3A4 P08684 5/20 0.55
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
HTR2B P41595 1/20 0.49
EPHX1 P07099 1/20 0.47
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
UGT2B7 P16662 1/20 0.44
TAAR1 Q96RJ0 2/20 0.44
MAOA P21397 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
CYP2A6 P11509 1/20 0.44
ADORA2A P29274 1/20 0.44

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
SCHEMBL12706097 0.89 HTR2A (0.62) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL5703577 0.86 HTR2A (0.47) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
Hydrochloric Acid SCHEMBL6417206 0.85 HTR2A (0.46) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL1899727 0.82 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL28893947 0.80 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3CYP2D6EPHX1
SCHEMBL3729575 0.80 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL3742635 0.79 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL28201253 0.79 SLC6A2 (0.57) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL3739774 0.79 SLC6A2 (0.65) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL11631139 0.79 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6

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 8 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
US-7482379-B2 Propenoyl hydrazides GEORGIA TECH RESEARCH CORPORATION (US) 2009-01-27 US disclosed
EP-1723124-A1 PROPENOYL HYDRAZIDES Georgia Tech Research Corporation (US) 2006-11-22 EP disclosed
US-20050256058-A1 Propenoyl hydrazides NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-11-17 US disclosed
WO-2005080353-A1 PROPENOYL HYDRAZIDES GEORGIA TECH RESEARCH CORPORATION (US) 2005-09-01 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 (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-20130303775-A1 PROCESS FOR PRODUCTION OF AROMATIC ALCOHOL OR HETEROCYCLIC AROMATIC ALCOHOL ADH1C, ADH1A, ADH5 SLC6A2 1320/4885SLC6A4 1846/4885SLC6A3 1047/4885
US-20050256058-A1 Propenoyl hydrazides DNPEP, HPN, PREP SLC6A2 4594/4885SLC6A4 3993/4885SLC6A3 3554/4885

“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.