SCHEMBL3200018

SCHEMBL3200018

NCCCCN1CCN(c2ccc(Cl)cc2)CC1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.69
GAA P10253 1/20 0.69
CYP2D6 P10635 1/20 0.63
SIGMAR1 Q99720 4/20 0.61
DRD2 P14416 8/20 0.61
HTR1A P08908 5/20 0.61
HTR2A P28223 5/20 0.61
DRD3 P35462 5/20 0.61
TMEM97 Q5BJF2 3/20 0.61
DRD1 P21728 3/20 0.61
DRD5 P21918 3/20 0.61
HSD17B10 Q99714 1/20 0.59
DRD4 P21917 3/20 0.58
HTR2C P28335 1/20 0.56
HRH1 P35367 1/20 0.56
CACNA1G O43497 1/20 0.55
KCNH2 Q12809 2/20 0.54
SLC6A2 P23975 1/20 0.53
SLC6A4 P31645 1/20 0.53

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
SCHEMBL11618967 0.95 CYP2D6 (0.70) KDM4EGAACYP2D6SIGMAR1DRD2
SCHEMBL4400393 0.88 KDM4E (0.61) KDM4EGAACYP2D6SIGMAR1DRD2
SCHEMBL18754269 0.88 KDM4E (0.75) KDM4EGAASIGMAR1DRD2HTR1A
SCHEMBL7055089 0.83 KCNH2 (0.58) KDM4EGAACYP2D6SIGMAR1DRD2
SCHEMBL11073634 0.83 HSD17B10 (0.63) KDM4EGAACYP2D6SIGMAR1HTR1A
SCHEMBL3197073 0.83 CYP2D6 (0.63) KDM4EGAACYP2D6SIGMAR1DRD2
SCHEMBL3197906 0.83 CYP2D6 (0.63) CYP2D6SIGMAR1DRD2HTR1AHTR2A
SCHEMBL16676579 0.83 KDM4E (0.97) KDM4EGAASIGMAR1DRD2HTR1A
SCHEMBL5185951 0.83 CYP2D6 (0.63) KDM4EGAACYP2D6SIGMAR1DRD2
SCHEMBL16666842 0.83 KDM4E (0.69) KDM4EGAASIGMAR1DRD2HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029682-A1 NOVEL CHROMENE AND THIOCHROMENE CARBOXAMIDE DERIVATIVES, METHODS FOR PREPARING SAME AND THERAPEUTIC APPLICATIONS OF SAME PIERRE FABRE MEDICAMENT (FR) 2010-02-04 US claimed
US-20100029682-A1 NOVEL CHROMENE AND THIOCHROMENE CARBOXAMIDE DERIVATIVES, METHODS FOR PREPARING SAME AND THERAPEUTIC APPLICATIONS OF SAME PIERRE FABRE MEDICAMENT (FR) 2010-02-04 US disclosed
EP-2057138-A1 NOVEL CHROMENE AND THIOCHROMENE CARBOXAMIDE DERIVATIVES, METHODS FOR PREPARING SAME AND THERAPEUTIC APPLICATIONS OF SAME Pierre Fabre Medicament (FR) 2009-05-13 EP disclosed
WO-2008009741-A1 NOVEL CHROMENE AND THIOCHROMENE CARBOXAMIDE DERIVATIVES, METHODS FOR PREPARING SAME AND THERAPEUTIC APPLICATIONS OF SAME PIERRE FABRE MEDICAMENT (FR) 2008-01-24 WO disclosed
EP-0707571-B1 3,5-DIOXO-(2H,4H)-1,2,4-TRIAZINE DERIVATIVES AS 5HT1A LIGANDS PF MEDICAMENT (FR) 1997-05-02 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 (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-20100029682-A1 NOVEL CHROMENE AND THIOCHROMENE CARBOXAMIDE DERIVATIVES, METHODS FOR PREPARING SAME AND THERAPEUTIC APPLICATIONS OF SAME DRD3, CHRNA3, CHRM3 KDM4E 2673/4885GAA 2339/4885CYP2D6 896/4885

“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.