SCHEMBL3564756

SCHEMBL3564756

COc1cc(C)c(N2CCNCC2)c(C#N)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 2/20 0.51
HTR3B O95264 2/20 0.51
HTR3A P46098 2/20 0.51
HTR3D Q70Z44 2/20 0.51
HTR3C Q8WXA8 2/20 0.51
ADRB1 P08588 3/20 0.50
PDE10A Q9Y233 2/20 0.46
CSNK1D P48730 1/20 0.46
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
UBE2N P61088 1/20 0.43
KMT2A Q03164 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
TAAR1 Q96RJ0 1/20 0.42
HTR1A P08908 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
HPGD P15428 1/20 0.39

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
SCHEMBL2117991 0.85 HTR3A (0.63) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL22542080 0.82 TAAR1 (0.56) HTR3AADRB1ALDH1A1KDM4ETAAR1
SCHEMBL20883752 0.77 TAAR1 (0.42) ADRB1ALDH1A1KDM4ETAAR1HPGD
SCHEMBL22542088 0.77 TAAR1 (0.45) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL24478238 0.77 TAAR1 (0.45) ADRB1ALDH1A1KDM4ETAAR1HTR1A
SCHEMBL2768036 0.77 HTR3A (0.66) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL3436844 0.75 LMNA (0.42) ALDH1A1KDM4EGAAKMT2A
SCHEMBL30164060 0.73 ADRB1 (0.50) HTR3AADRB1ALDH1A1KDM4ETAAR1
SCHEMBL29232371 0.72 HTR3A (0.60) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL20884946 0.71 HTR6 (0.41) HTR3EHTR3BHTR3AHTR3DHTR3C

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 2 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-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 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-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 HTR3E 1490/4885HTR3B 1692/4885HTR3A 746/4885

“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.