SCHEMBL3559786

SCHEMBL3559786

COc1ccc(N2CCC(C=O)CC2)c(C)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.58
HTR3B O95264 1/20 0.58
HTR3A P46098 1/20 0.58
HTR3D Q70Z44 1/20 0.58
HTR3C Q8WXA8 1/20 0.58
ALDH1A1 P00352 4/20 0.43
ALDH1A3 P47895 3/20 0.43
METAP2 P50579 1/20 0.41
KMT2A Q03164 2/20 0.40
TSHR P16473 1/20 0.40
ACACB O00763 1/20 0.39
HTR7 P34969 1/20 0.39
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SRD5A1 P18405 1/20 0.39
MEN1 O00255 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
FFAR1 O14842 1/20 0.37

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
SCHEMBL3552364 0.84 KDM4E (0.46) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL3566647 0.82 HTR3E (0.55) HTR3EHTR3BHTR3AHTR3DHTR3C
Hydrochloric Acid SCHEMBL2366847 0.81 ALDH1A1 (0.48) ALDH1A1ALDH1A3KMT2ATSHRSMN1; SMN2
SCHEMBL10277983 0.79 ALDH1A1 (0.45) ALDH1A1ALDH1A3KMT2ATSHRHTR7
SCHEMBL3436583 0.79 HTR3E (0.57) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL3436847 0.79 FFAR4 (0.57) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL230404 0.77 HTR3E (0.53) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL21590281 0.77 HTR3E (0.71) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL14922712 0.75 HTR3E (0.69) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL3436572 0.75 ALDH1A1 (0.66) 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 3 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
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 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.