SCHEMBL2270948

SCHEMBL2270948

Cc1cccc(C2(O)CCNCC2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.52
OPRK1 P41145 3/20 0.52
OPRL1 P41146 3/20 0.52
OPRD1 P41143 2/20 0.52
DRD2 P14416 1/20 0.49
GABRD O14764 1/20 0.44
GABRA1 P14867 1/20 0.44
GABRB1 P18505 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
CHRNA1 P02708 1/20 0.44
CHRNG P07510 1/20 0.44
CHRNB1 P11230 1/20 0.44
CHRNB2 P17787 1/20 0.44
SLC6A2 P23975 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 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
Hydrochloric Acid SCHEMBL7831551 0.98 OPRM1 (0.51) OPRM1OPRK1OPRL1OPRD1DRD2
SCHEMBL9311076 0.90 OPRM1 (0.47) OPRM1OPRK1OPRL1OPRD1DRD2
SCHEMBL27352126 0.87 OPRM1 (0.59) OPRM1OPRK1OPRL1OPRD1CHRNA1
Tert-Butyl Formate SCHEMBL27546627 0.85 OPRM1 (0.41) OPRM1OPRK1OPRL1OPRD1DRD2
SCHEMBL17208258 0.83 OPRM1 (0.56) OPRM1OPRK1OPRL1OPRD1CHRNA1
SCHEMBL27266340 0.83 OPRM1 (0.56) OPRM1OPRK1OPRL1OPRD1CHRNA1
SCHEMBL9149484 0.81 OPRM1 (0.55) OPRM1OPRK1OPRL1OPRD1CHRNA1
SCHEMBL2273415 0.81 OPRM1 (0.64) OPRM1OPRK1OPRL1OPRD1DRD2
Toluene SCHEMBL27659003 0.81 OPRM1 (0.43) OPRM1OPRK1OPRL1OPRD1DRD2
SCHEMBL13144705 0.80 OPRM1 (0.45) OPRM1OPRK1OPRL1OPRD1GABRD

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1714961-B1 INDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2015-12-09 EP disclosed
US-7994196-B2 Indazole compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-08-09 US disclosed
US-7994196-B2 Indazole compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-08-09 US disclosed
US-7994196-B2 Indazole compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-08-09 US disclosed
US-7468368-B2 Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof SANOFI AVENTIS (FR) 2008-12-23 US disclosed
US-7294628-B2 Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2007-11-13 US disclosed
US-20070173537-A1 Indazole compound and pharmaceutical use thereof MITSUBISHI PHARMA CORPORATION (JP) 2007-07-26 US disclosed
US-20070173537-A1 Indazole compound and pharmaceutical use thereof MITSUBISHI PHARMA CORPORATION (JP) 2007-07-26 US disclosed
US-20070173537-A1 Indazole compound and pharmaceutical use thereof MITSUBISHI PHARMA CORPORATION (JP) 2007-07-26 US disclosed
EP-1714961-A1 INDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2006-10-25 EP disclosed
US-6713490-B2 6-(2-(4-(3-FLUOROPHENYL)-4-HYDROXY-1-PIPERIDINYL)-1-HYDROXY -ETHYL)-3,4-DIHYDRO-2(1H)-QUINOLINONE; REDUCED INHIBITORY ACTIVITY AT HERG (HUMAN ETHER-A-GO-GO RELATED GENE) POTASSIUM CHANNEL PFIZER, INC. 2004-03-30 US disclosed
WO-2003104225-A1 PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-SYNTHELABO (FR) 2003-12-18 WO disclosed
WO-2003104226-A1 PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-SYNTHELABO (FR) 2003-12-18 WO disclosed
US-20030216430-A1 3, 4-dihydroquinolin-2(1H)-one compounds as NR2B receptor antagonists KAWAMURA MITSUHIRO (JP) 2003-11-20 US disclosed
WO-2003091241-A1 3, 4-DIHYDROQUINOLIN-2(1H)-ONE COMPOUNDS AS NR2B RECEPTOR ANTAGONISTS PFIZER JAPAN INC. (JP) 2003-11-06 WO disclosed
EP-0974583-B1 PHENYLPIPERIDINE DERIVATIVES KYOWA HAKKO KOGYO KK (JP) 2002-05-29 EP disclosed
US-6150355-A ANALGESICS KYOWA HAKKO KOGYO CO., LTD. (JP) 2000-11-21 US disclosed
EP-0974583-A1 PHENYLPIPERIDINE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 2000-01-26 EP disclosed
US-4166853-A Antihypertensive 7-trifluoromethyl-4-aminoquinolones THE UPJOHN COMPANY (US) 1979-09-04 US disclosed
US-4016281-A Tetralone and indanone compounds MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1977-04-05 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-20030216430-A1 3, 4-dihydroquinolin-2(1H)-one compounds as NR2B receptor antagonists GRIN3B, GRIN1, GRIN2A OPRM1 53/4885OPRK1 24/4885OPRL1 12/4885
US-20070173537-A1 Indazole compound and pharmaceutical use thereof CYP3A5, CYP3A43, TP53 OPRM1 3770/4885OPRK1 3177/4885OPRL1 3885/4885

“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.