SCHEMBL3436721

SCHEMBL3436721

CCOC(=O)C1CCN(C(=O)C2CCN(c3ncccc3C)CC2)CC1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.58
MAPK1 P28482 1/20 0.58
CYP2C19 P33261 2/20 0.57
GAA P10253 2/20 0.56
ALDH1A1 P00352 3/20 0.55
MAPT P10636 6/20 0.53
CCR6 P51684 1/20 0.51
KMT2A Q03164 3/20 0.50
POLB P06746 2/20 0.50
RAB9A P51151 1/20 0.50
TP53 P04637 1/20 0.50
CYP2C9 P11712 1/20 0.50
TSHR P16473 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CTSB P07858 1/20 0.50

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
SCHEMBL3594750 0.93 MAPT (0.59) MAPK1CYP2C19GAAALDH1A1MAPT
SCHEMBL3436725 0.85 ELANE (0.53) CYP2C19ALDH1A1MAPTKMT2ATSHR
SCHEMBL3436582 0.82 POLB (0.52) MAPTKMT2APOLBTSHRSMN1; SMN2
SCHEMBL16648570 0.82 MAPT (0.64) CYP2C19GAAALDH1A1MAPTKMT2A
SCHEMBL3436727 0.82 KMT2A (0.52) CCR6KMT2A
SCHEMBL3435703 0.81 MAPT (0.57) MAPK1CYP2C19GAAALDH1A1MAPT
SCHEMBL3436729 0.81 CHRM4 (0.55) MAPK1CYP2C19ALDH1A1MAPTKMT2A
SCHEMBL3436732 0.81 HRH3 (0.48) ALDH1A1KMT2APOLBTSHR
SCHEMBL3436730 0.80 TRPV1 (0.52) GAAALDH1A1MAPTKMT2APOLB
SCHEMBL3436723 0.79 HTT (0.52) MAPTKMT2APOLBTSHRSMN1; SMN2

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 4 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

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 ALOX15 2950/4885MAPK1 1316/4885CYP2C19 1395/4885

“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.