SCHEMBL3435567

SCHEMBL3435567

Nc1ccc(F)cc1C1=CCNCC1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 8/20 0.49
HTR2C P28335 5/20 0.48
HTR2A P28223 1/20 0.48
HTR7 P34969 1/20 0.48
DRD2 P14416 1/20 0.46
CDK9 P50750 5/20 0.44
CCNT1 O60563 4/20 0.44
SIGMAR1 Q99720 1/20 0.43

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
SCHEMBL3434588 0.87 HTR6 (0.52) HTR6HTR2CHTR2AHTR7DRD2
Hydrochloric Acid SCHEMBL2079115 0.87 HTR6 (0.52) HTR6HTR2CHTR2AHTR7DRD2
SCHEMBL5321082 0.83 HTR6 (0.50) HTR6HTR2CHTR2AHTR7DRD2
SCHEMBL17229878 0.81 CCNT1 (0.59) HTR6HTR2CHTR2AHTR7DRD2
Hydrochloric Acid SCHEMBL17222962 0.81 CCNT1 (0.59) HTR6HTR2CHTR2AHTR7DRD2
Hydrochloric Acid SCHEMBL29915735 0.81 CCNT1 (0.59) HTR6HTR2CHTR2AHTR7DRD2
SCHEMBL1513540 0.80 HTR6 (0.50) HTR6HTR2CHTR2AHTR7DRD2
Hydrochloric Acid SCHEMBL29882492 0.80 HTR6 (0.50) HTR6HTR2CHTR2AHTR7DRD2
SCHEMBL24157910 0.78 HTR2C (0.50) HTR6HTR2CHTR2AHTR7DRD2
Hydrochloric Acid SCHEMBL17223043 0.78 HTR2C (0.50) HTR6HTR2CHTR2AHTR7DRD2

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-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US disclosed
EP-2009005-A1 AZOLECARBOXAMIDE DERIVATIVE Astellas Pharma Inc. (JP) 2008-12-31 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-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 HTR6 2254/4885HTR2C 1146/4885HTR2A 2045/4885

“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.