SCHEMBL5863458

SCHEMBL5863458

Cc1nc2ccc(N3CCN(CCC(c4ccccc4)c4ccccc4)CC3)cc2c(=O)n1Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.52
HTR7 P34969 3/20 0.52
KDM4E B2RXH2 7/20 0.48
ALDH1A1 P00352 7/20 0.48
USP2 O75604 1/20 0.48
GAA P10253 1/20 0.48
NOD2 Q9HC29 1/20 0.48
HSD17B10 Q99714 3/20 0.47
HTT P42858 2/20 0.47
TSHR P16473 1/20 0.47
HPGD P15428 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MAPT P10636 2/20 0.47
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47

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
SCHEMBL5864124 0.81 HTR6 (0.54) KDM4EALDH1A1USP2GAANOD2
SCHEMBL5863679 0.78 MAPK14 (0.47) HTR1AHTR7ALDH1A1MAPTLMNA
SCHEMBL5863818 0.78 CCR2 (0.43) HTR1AKDM4EALDH1A1HSD17B10HTT
SCHEMBL5863914 0.72 MAPK14 (0.48)
SCHEMBL31196722 0.72 SMN1; SMN2 (0.70) KDM4EALDH1A1GAAHSD17B10HPGD
SCHEMBL5863348 0.71 KDM4E (0.81) KDM4EALDH1A1HSD17B10HPGDMEN1
SCHEMBL7229590 0.70 DRD3 (0.48) HTR1AHTR7
SCHEMBL7228569 0.70 HTR1A (0.43) HTR1AHTR7
SCHEMBL7228845 0.69 DRD2 (0.47) HTR1A
SCHEMBL12192096 0.69 DRD4 (0.51) KDM4EGAALMNASMN1; SMN2CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7030120-B2 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same MEIJI SEIKA KAISHA, LTD. (JP) 2006-04-18 US disclosed
US-20040224959-A1 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same OHKURA NAOTO (JP) 2004-11-11 US disclosed
US-6777414-B1 INHIBITORS OF TRIGLYCERIDE BIOSYNTHESIS AND SECRETION OF APOLIPOPROTEIN B-CONTAINING LIPOPROTEINS; ARTERIOSCLEROTIC DISEASES; HYPERLIPIDEMIA MEIJI SEIKA KAISHA, LTD. (JP) 2004-08-17 US disclosed
EP-1180514-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND BENAMIDE COMPOUNDS AND DRUGS CONTAINING THE SAME MEIJI SEIKA KAISHA LTD. (JP) 2002-02-20 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 (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-20040224959-A1 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same APOB, NCEH1, LIPC HTR1A 1305/4885HTR7 1820/4885KDM4E 2536/4885

“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.