SCHEMBL5863909

SCHEMBL5863909

O=C(c1cccc(N2CCN(CCC(c3ccccc3)c3ccccc3)CC2)c1)N(Cc1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.45
HTR7 P34969 2/20 0.45
CCR5 P51681 3/20 0.44
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
OPRM1 P35372 1/20 0.41
OPRL1 P41146 1/20 0.41

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
SCHEMBL5863488 0.89 CCR5 (0.46) HTR2CCCR5SIGMAR1OPRM1
SCHEMBL5864014 0.87 MEN1 (0.54) CCR5
SCHEMBL5863892 0.86 ALDH1A1 (0.47) HTR2CCCR5TSHROPRM1OPRL1
SCHEMBL5863664 0.85 ACACB (0.48) CCR5OPRM1
SCHEMBL5863311 0.85 HTR2C (0.47) HTR2CCCR5
SCHEMBL5863894 0.84 CHRM2 (0.51) CCR5OPRM1
SCHEMBL5863863 0.84 LMNA (0.47) CCR5TSHR
SCHEMBL5863727 0.84 HTR2C (0.63) HTR2CCCR5OPRM1OPRL1
SCHEMBL5863862 0.83 AGER (0.49) CCR5OPRM1
SCHEMBL5863783 0.83 CCR5 (0.46) HTR2CCCR5SIGMAR1OPRM1

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 HTR2C 1149/4885HTR7 1820/4885CCR5 1736/4885

“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.