SCHEMBL9379752

SCHEMBL9379752

CC1CN(Cc2ccccc2)CC1=O

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.50
GAA P10253 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
TACR1 P25103 3/20 0.47
FUCA1 P04066 2/20 0.46
MC4R P32245 1/20 0.44
S1PR1 P21453 1/20 0.44
S1PR5 Q9H228 1/20 0.44
LMNA P02545 2/20 0.43
POLB P06746 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
SCHEMBL1105751 0.83 ACHE (0.60) ACHESIGMAR1MC4R
SCHEMBL692536 0.83 ACHE (0.60) ACHESIGMAR1MC4R
SCHEMBL5766167 0.83 ACHE (0.60) ACHESIGMAR1MC4R
SCHEMBL467266 0.83 TACR1 (0.62) ACHEGAASIGMAR1TACR1MC4R
SCHEMBL6943959 0.83 TACR1 (0.62) ACHEGAASIGMAR1TACR1MC4R
SCHEMBL385325 0.83 TACR1 (0.62) ACHEGAASIGMAR1TACR1MC4R
SCHEMBL1920327 0.82 FUCA1 (0.53) ACHEGAASIGMAR1TACR1FUCA1
SCHEMBL8294589 0.82 ACHE (0.53) ACHEGAASIGMAR1TACR1FUCA1
SCHEMBL654452 0.82 FUCA1 (0.53) ACHEGAASIGMAR1TACR1FUCA1
SCHEMBL12533691 0.82 FUCA1 (0.53) ACHEGAASIGMAR1TACR1FUCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8470816-B2 Nitrogen-containing heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-25 US disclosed
US-20090156572-A1 Nitrogen-containing heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-06-18 US disclosed
EP-0562042-A4 QUINOLINE, NAPHTHYRIDINE AND PYRIDOBENZOXAZINE DERIVATIVES ABBOTT LAB (US) 1994-07-06 EP disclosed
EP-0562042-A1 QUINOLINE, NAPHTHYRIDINE AND PYRIDOBENZOXAZINE DERIVATIVES ABBOTT LABORATORIES (US) 1993-09-29 EP disclosed
CN-1019114-B QUINOLINE-3-CARBOXYLIC ACID DERIVATIVES AND THE PREPN. METHOD THEREOF SANKYO CO (JP) 1992-11-18 CN disclosed
US-5137892-A Bactericides ABBOTT LABORATORIES (US) 1992-08-11 US disclosed
WO-1992010191-A1 QUINOLINE, NAPHTHYRIDINE AND PYRIDOBENZOXAZINE DERIVATIVES ABBOTT LABORATORIES (US) 1992-06-25 WO disclosed
US-4997943-A Bactericides SANKYO COMPANY LIMITED (JP) 1991-03-05 US disclosed
CN-1010312-B PYRIDONECARBOXYLIC ACID DERIVATIVES AND PROCESS FOR PREPARING SAME KYORIN SEIYAKU KK (JP) 1990-11-07 CN disclosed
EP-0208210-B1 PYRIDONECARBOXYLIC ACID DERIVATIVES AND PROCESS FOR THEIR PREPARATION KYORIN PHARMACEUTICAL CO., LTD. (JP) 1990-10-24 EP disclosed
US-4753953-A Pyridonecarboxylic acid derivatives and antibacterial pharmaceutical compositions thereof KYORIN PHARMACEUTICAL CO., LTD. (JP) 1988-06-28 US disclosed
EP-0241206-A2 Quinoline-3-carboxylic acid derivatives, their preparation and use Sankyo Company Limited (JP) 1987-10-14 EP disclosed
CN-86104479-A The preparation method of pyridone carboxylic acid derivatives 1987-02-04 CN disclosed
EP-0208210-A1 Pyridonecarboxylic acid derivatives and process for their preparation KYORIN PHARMACEUTICAL CO., LTD. (JP) 1987-01-14 EP disclosed
US-4210660-A CENTRAL NERVOUS SYSTEM DEPRESSANTS, ESPECIALLY ANTIPSYCOTICS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1980-07-01 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 (1 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-20090156572-A1 Nitrogen-containing heterocyclic compound and use thereof NTSR2, NTSR1, HNMT ACHE 1062/4885GAA 4539/4885SIGMAR1 237/4885

“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.