SCHEMBL4915224

SCHEMBL4915224

CCCCN1CCN(C=O)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 2/20 0.44
GNAO1 P09471 2/20 0.44
GNAI1 P63096 2/20 0.44
HSD17B10 Q99714 1/20 0.41
DRD2 P14416 3/20 0.40
DRD3 P35462 3/20 0.40
KDM1A O60341 1/20 0.40
DRD4 P21917 2/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
S1PR5 Q9H228 1/20 0.39
HTR1A P08908 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
GPR183 P32249 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
Hydrochloric Acid SCHEMBL29165064 0.98 GNAI3 (0.47) GNAI3GNAO1GNAI1HSD17B10DRD2
SCHEMBL13632361 0.94 HSD17B10 (0.46) GNAI3GNAO1GNAI1HSD17B10DRD2
SCHEMBL4901796 0.94 GNAI3 (0.52) GNAI3GNAO1GNAI1HSD17B10S1PR1
SCHEMBL21084328 0.92 GNAI3 (0.55) GNAI3GNAO1GNAI1S1PR1S1PR3
SCHEMBL4914105 0.92 GNAI3 (0.55) GNAI3GNAO1GNAI1S1PR1S1PR3
SCHEMBL11259811 0.88 DRD2 (0.40) GNAI3GNAO1GNAI1HSD17B10DRD2
SCHEMBL3947375 0.86 DRD2 (0.44) GNAI3GNAO1GNAI1HSD17B10DRD2
SCHEMBL5574053 0.86 HSD17B10 (0.47) HSD17B10HTR1ASIGMAR1
SCHEMBL25594231 0.83 DRD2 (0.47) DRD2DRD3S1PR1S1PR3S1PR5
SCHEMBL11441260 0.83 ACE2 (0.47) GNAI3GNAO1GNAI1HSD17B10KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117120443-A Compounds as adenosine A2a receptor antagonists and pharmaceutical compositions containing the same 株式会社 钟根堂 2023-11-24 CN disclosed
US-20090275555-A1 Substituted indole ligands for the ORL-1 receptor BRANE DISCOVERY S.R.L. (IT) 2009-11-05 US disclosed
US-20090275555-A1 Substituted indole ligands for the ORL-1 receptor BRANE DISCOVERY S.R.L. (IT) 2009-11-05 US disclosed
US-20080076760-A1 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION WAKAMOTO PHARMACEUTICAL CO., LTD (JP) 2008-03-27 US disclosed
EP-1820799-A1 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION Wakamoto Pharmaceutical Co., Ltd. (JP) 2007-08-22 EP disclosed
US-7160877-B2 Aliphatic nitrogen-containing 5-membered ring compound TANABE SEIYAKU CO., LTD. (JP) 2007-01-09 US disclosed
US-7160877-B2 Aliphatic nitrogen-containing 5-membered ring compound TANABE SEIYAKU CO., LTD. (JP) 2007-01-09 US disclosed
US-20060089355-A1 Methods of treating alzheimer's disease using aromatically substituted w-amino-alkanoic acid amides and alkanoic acid diamides ELAN PHARMACEUTICALS, INC. 2006-04-27 US disclosed
US-5641778-A EXHIBIT RENIN-INHIBITING PROPERTIES AND CAN BE USED AS ANTIHYPERTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1997-06-24 US disclosed
EP-0716077-A1 Aromatically substituted omega amino alcanoic acid amides and alcanoic diamides and their use as renine inhibitors CIBA-GEIGY AG (CH) 1996-06-12 EP disclosed
EP-0277836-B1 THIAZOLIDINONE DERIVATIVES, THEIR PREPARATION AND THEIR USE Sankyo Company Limited (JP) 1993-06-02 EP disclosed
US-5104888-A Anticholesterol or antidiabetic agents SANKYO COMPANY, LIMITED (JP) 1992-04-14 US disclosed
EP-0207581-B1 THIAZOLIDINE DERIVATIVES, THEIR PREPARATION AND USE SANKYO COMPANY LIMITED (JP) 1990-09-12 EP disclosed
US-4873255-A REDUCE BLOOD GLUCOSE AND BLOOD LIPID LEVELS SANKYO COMPANY LIMITED (JP) 1989-10-10 US disclosed
EP-0277836-A1 Thiazolidinone derivatives, their preparation and their use Sankyo Company Limited (JP) 1988-08-10 EP disclosed
EP-0207581-A2 Thiazolidine derivatives, their preparation and use SANKYO COMPANY LIMITED (JP) 1987-01-07 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 (3 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-20080076760-A1 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION GABRA5, GABRA1, GABRB1 GNAI3 1131/4885GNAO1 1472/4885GNAI1 988/4885
US-20090275555-A1 Substituted indole ligands for the ORL-1 receptor OGFRL1, OPRL1, ORMDL3 GNAI3 674/4885GNAO1 280/4885GNAI1 457/4885
US-20060089355-A1 Methods of treating alzheimer's disease using aromatically substituted w-amino-alkanoic acid amides and alkanoic acid diamides APP, BACE1, BACE2 GNAI3 4005/4885GNAO1 2380/4885GNAI1 3742/4885

“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.