SCHEMBL3196223

SCHEMBL3196223

N#Cc1ccccc1N1CCN(CCCCN)CC1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.57
ADRA1A P35348 2/20 0.57
ADRA1B P35368 2/20 0.57
ADRA1D P25100 1/20 0.57
CYP2D6 P10635 1/20 0.53
DRD2 P14416 3/20 0.52
DRD4 P21917 1/20 0.52
DRD3 P35462 1/20 0.52
SIGMAR1 Q99720 1/20 0.51
HTR7 P34969 2/20 0.50
HTR2A P28223 1/20 0.50

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
SCHEMBL7968237 0.95 CYP2D6 (0.58) HTR1AADRA1AADRA1BADRA1DCYP2D6
SCHEMBL3196213 0.82 DRD2 (0.57) HTR1AADRA1AADRA1BADRA1DDRD2
SCHEMBL9118791 0.80 DRD2 (0.56) HTR1AADRA1AADRA1BADRA1DDRD2
SCHEMBL946834 0.80 SIGMAR1 (0.59) HTR1AADRA1ACYP2D6DRD2DRD3
SCHEMBL3194731 0.80 KDM4E (0.70) HTR1AADRA1AADRA1BADRA1DCYP2D6
SCHEMBL4687871 0.80 DRD2 (0.58) HTR1AADRA1AADRA1BADRA1DDRD2
SCHEMBL4935832 0.80 DRD2 (0.58) HTR1AADRA1AADRA1BADRA1DDRD2
SCHEMBL3200963 0.79 ADRA1B (0.60) HTR1AADRA1AADRA1BADRA1DCYP2D6
SCHEMBL3200107 0.79 ADRA1B (0.60) HTR1AADRA1AADRA1BADRA1DCYP2D6
Hydrochloric Acid SCHEMBL3196048 0.79 SIGMAR1 (0.58) HTR1AADRA1ACYP2D6DRD2DRD3

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 6 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

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 HTR1A 66/4885ADRA1A 159/4885ADRA1B 362/4885

“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.