SCHEMBL3974445

SCHEMBL3974445

O=C(NCCCCN1CCN(c2ccccc2F)CC1)C1=Cc2ccccc2SC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.58
DRD3 P35462 8/20 0.58
ADRA1A P35348 3/20 0.58
HTR1A P08908 5/20 0.55
HTR2A P28223 3/20 0.55
HTR2C P28335 2/20 0.55
LMNA P02545 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
DRD4 P21917 4/20 0.51
ADRA1D P25100 2/20 0.51
ADRA1B P35368 2/20 0.51
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 2/20 0.49
HPGD P15428 2/20 0.49
HRH4 Q9H3N8 1/20 0.49
TP53 P04637 3/20 0.49
USP2 O75604 1/20 0.49
TSHR P16473 1/20 0.49
HSD17B10 Q99714 1/20 0.49
MEN1 O00255 1/20 0.48

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
SCHEMBL13484955 0.90 DRD3 (0.56) DRD2DRD3ADRA1AHTR1AHTR2A
SCHEMBL3975561 0.90 DRD3 (0.57) DRD2DRD3ADRA1AHTR1AHTR2A
SCHEMBL3977020 0.90 DRD3 (0.61) DRD2DRD3ADRA1AHTR1AHTR2A
SCHEMBL13484865 0.89 DRD3 (0.58) DRD2DRD3ADRA1AHTR1AHTR2A
SCHEMBL3976402 0.88 DRD2 (0.56) DRD2DRD3ADRA1AHTR1AHTR2A
SCHEMBL3974327 0.87 DRD3 (0.57) DRD2DRD3ADRA1AHTR1AHTR2A
SCHEMBL8229500 0.86 DRD2 (0.66) DRD2DRD3ADRA1AHTR1ADRD4
SCHEMBL3981916 0.86 DRD3 (0.66) DRD2DRD3ADRA1AHTR1AHTR2A
SCHEMBL3977894 0.86 DRD3 (0.58) DRD2DRD3ADRA1AHTR1AHTR2A
SCHEMBL13484943 0.86 DRD2 (0.60) DRD2DRD3ADRA1AHTR1AHTR2A

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 disclosed
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
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 DRD2 13/4885DRD3 1/4885ADRA1A 159/4885

“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.