SCHEMBL3203149

SCHEMBL3203149

NCCCCN1CCN(c2nc3ccccc3[nH]2)CC1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.57
ACHE P22303 1/20 0.57
HTR3A P46098 1/20 0.56
TP53 P04637 1/20 0.55
MAPT P10636 1/20 0.53
RAB9A P51151 1/20 0.53
TRPC3 Q13507 1/20 0.52
SORD Q00796 1/20 0.50
DRD4 P21917 3/20 0.49
DRD2 P14416 2/20 0.49
DRD3 P35462 2/20 0.49
CYP2D6 P10635 1/20 0.48
KCNH2 Q12809 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
HTR2B P41595 1/20 0.46

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
SCHEMBL7534372 0.85 BCHE (0.58) BCHEACHEHTR3ATP53MAPT
SCHEMBL3203133 0.84 DRD2 (0.55) BCHEACHEHTR3ATP53MAPT
SCHEMBL10247572 0.79 ACHE (0.65) BCHEACHEHTR3ATP53MAPT
SCHEMBL7841229 0.79 BCHE (0.57) BCHEACHEHTR3ATP53MAPT
Hydrochloric Acid SCHEMBL7215392 0.78 BCHE (0.56) BCHEACHEHTR3ATP53MAPT
SCHEMBL5309716 0.77 BCHE (0.71) BCHEACHEHTR3ATP53MAPT
SCHEMBL2448672 0.77 BACE1 (0.66) BCHETP53RAB9ATRPC3KCNH2
SCHEMBL4436381 0.77 BCHE (0.61) BCHEACHEHTR3ATP53MAPT
Hydrochloric Acid SCHEMBL1775985 0.77 ACHE (0.61) BCHEACHEHTR3ATP53MAPT
Hydrochloric Acid SCHEMBL1775988 0.77 ACHE (0.61) BCHEACHEHTR3ATP53MAPT

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 1 patent. 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

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 BCHE 213/4885ACHE 120/4885HTR3A 23/4885

“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.