SCHEMBL3197906

SCHEMBL3197906

NCCCCN1CCN(c2ccc(F)cc2)CC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.63
HTR1A P08908 6/20 0.61
DRD2 P14416 6/20 0.61
HTR2A P28223 5/20 0.61
DRD3 P35462 5/20 0.61
TMEM97 Q5BJF2 3/20 0.61
SIGMAR1 Q99720 3/20 0.61
DRD1 P21728 3/20 0.61
DRD5 P21918 3/20 0.61
HSD17B10 Q99714 1/20 0.59
HRH1 P35367 2/20 0.56
HTR2C P28335 1/20 0.56
SLC6A2 P23975 1/20 0.54
SLC6A4 P31645 1/20 0.54
DRD4 P21917 1/20 0.54
KCNH2 Q12809 1/20 0.54
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
MAPT P10636 1/20 0.53
MAPK1 P28482 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
SCHEMBL7653085 0.95 CYP2D6 (0.70) CYP2D6HTR1ADRD2HTR2ADRD3
SCHEMBL8011318 0.91 DRD2 (0.69) HTR1ADRD2HTR2ADRD3TMEM97
SCHEMBL1307372 0.88 MAPT (0.58) CYP2D6HTR1ADRD2HTR2ADRD3
SCHEMBL13875126 0.83 KDM4E (0.69) HTR1ADRD2HTR2ADRD3TMEM97
SCHEMBL11073634 0.83 HSD17B10 (0.63) CYP2D6HTR1ASIGMAR1HSD17B10KCNH2
SCHEMBL3197073 0.83 CYP2D6 (0.63) CYP2D6DRD2DRD3SIGMAR1HSD17B10
SCHEMBL5185951 0.83 CYP2D6 (0.63) CYP2D6HTR1ADRD2HTR2ADRD3
SCHEMBL9757260 0.83 DRD2 (0.61) HTR1ADRD2HTR2ADRD3TMEM97
SCHEMBL9757322 0.83 HTR1A (0.61) HTR1ADRD2HTR2ADRD3TMEM97
SCHEMBL2097950 0.83 DRD2 (0.61) HTR1ADRD2HTR2ADRD3TMEM97

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 7 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
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 claimed
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 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
US-5889010-A PSYCHOLOGICAL DISORDERS; UROGENITAL DISORDERS; COGNITION ACTIVATORS; NERVOUS SYSTEM DISORDERS; VISION DEFECTS; CONGESTIVE HEART FAILURE; DRUG ABRUSE; PARKINSON'S DISEASE;ANTIINFLAMMATORY AGENTS; ANTIALLERGENS PFIZER INC. (US) 1999-03-30 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 (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 CYP2D6 896/4885HTR1A 66/4885DRD2 13/4885

“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.