SCHEMBL5202497

SCHEMBL5202497

CNC(=O)c1ccc2cc(C)n(C3CCN(CCc4ccccc4F)CC3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PLD2 O14939 8/20 0.44
PLD1 Q13393 7/20 0.44
OPRM1 P35372 3/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
CACNA1G O43497 1/20 0.41
DRD4 P21917 2/20 0.40
OPRL1 P41146 4/20 0.40
ACSS2 Q9NR19 1/20 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
SCHEMBL5871702 0.91 PLD2 (0.46) PLD2PLD1OPRM1OPRD1OPRK1
SCHEMBL5871280 0.90 PLD2 (0.49) PLD2PLD1CACNA1GACSS2
SCHEMBL5204133 0.85 HTR2A (0.49) PLD2PLD1CACNA1GDRD4
SCHEMBL6619900 0.84 HTR1A (0.48) PLD2PLD1OPRM1OPRD1OPRK1
SCHEMBL5871261 0.84 KDM4E (0.44) OPRM1CACNA1G
SCHEMBL5871623 0.82 KMT2A (0.41) OPRM1OPRD1OPRK1CACNA1GDRD4
SCHEMBL5871557 0.82 KMT2A (0.41) OPRM1OPRD1OPRK1CACNA1GDRD4
SCHEMBL5871851 0.80 HTR2A (0.58) PLD2PLD1
SCHEMBL5202479 0.76 HTR2A (0.47) PLD2PLD1CACNA1GDRD4
SCHEMBL5871535 0.75 PLD2 (0.50) PLD2PLD1DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0976732-B1 1,4-SUBSTITUTED CYCLIC AMINE DERIVATIVES EISAI CO LTD (JP) 2004-11-24 EP claimed
US-20020019531-A1 Indoles EISAI CO., LTD. 2002-02-14 US claimed
EP-0976732-A1 1,4-SUBSTITUTED CYCLIC AMINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-02-02 EP claimed
EP-1179532-B1 PROCESS FOR THE PRODUCTION OF INDOLE DERIVATIVES AND INTERMEDIATES THEREFOR EISAI R&D MAN CO LTD (JP) 2007-06-13 EP disclosed
US-7071201-B2 Serotonin antagonism; muscle relaxant for myotonia; such as 1-(1-(2-(4-methoxyphenyl)ethyl)piperidin-4-yl)-7-methoxy-1,2,3,4 -tetrahydroquinoline EISAI CO., LTD. (JP) 2006-07-04 US disclosed
EP-0976732-B1 1,4-SUBSTITUTED CYCLIC AMINE DERIVATIVES EISAI CO LTD (JP) 2004-11-24 EP disclosed
US-6579881-B2 Indoles EISAI CO., LTD. (JP) 2003-06-17 US disclosed
US-6573384-B1 1,4-substituted cyclic amine compound which is useful as a pharmaceutical, and an intermediate for the process EISAI CO., LTD. (JP) 2003-06-03 US disclosed
US-6448243-B1 SEROTONIN ANTAGONIST FOR TREATING, AMELIORATING AND PREVENTING SPASTIC PARALYSIS OR CENTRAL MUSCLE RELAXANTS FOR AMELIORATING MYOTONIA EISAI CO., LTD. (JP) 2002-09-10 US disclosed
US-20020086999-A1 Certain quinoline derivatives EISAI CO., LTD. 2002-07-04 US disclosed
US-20020019531-A1 Indoles EISAI CO., LTD. 2002-02-14 US disclosed
EP-1179532-A1 PROCESS FOR THE PRODUCTION OF INDOLE DERIVATIVES AND INTERMEDIATES THEREFOR Eisai Co., Ltd. (JP) 2002-02-13 EP disclosed
JP-2000355591-A PRODUCTION OF INDOLE DERIVATIVE AND ITS INTERMEDIATE EISAI CO LTD 2000-12-26 JP disclosed
EP-0976732-A1 1,4-SUBSTITUTED CYCLIC AMINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-02-02 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 (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-20020019531-A1 Indoles INMT, MUSK, MB PLD2 1692/4885PLD1 1271/4885OPRM1 471/4885
US-20020086999-A1 Certain quinoline derivatives CHRM1, CHRNA5, CHRNA4 PLD2 1674/4885PLD1 1415/4885OPRM1 340/4885

“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.