SCHEMBL3436735

SCHEMBL3436735

CCC(=O)OC1CCN(c2ncc(F)cc2C)CC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.43
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CHRM1 P11229 6/20 0.41
HRH3 Q9Y5N1 2/20 0.40
ACACB O00763 2/20 0.39
CYP2C9 P11712 3/20 0.39
CYP2C19 P33261 3/20 0.39
KDM4E B2RXH2 2/20 0.39
GAA P10253 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMO Q99835 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
CHRM2 P08172 2/20 0.38
CHRM4 P08173 2/20 0.38
CHRM3 P20309 2/20 0.38
AGBL2 Q5U5Z8 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
SCHEMBL3436734 0.88 OPRK1 (0.43) OPRK1MAPTSMN1; SMN2HRH3ACACB
SCHEMBL3555340 0.80 MAPT (0.56) MAPTSMN1; SMN2KDM4EGAAMEN1
SCHEMBL3436536 0.79 MAPT (0.43) MAPTSMN1; SMN2HRH3ACACBGAA
SCHEMBL3436737 0.79 OPRK1 (0.42) OPRK1CHRM1HRH3SMOCHRM2
SCHEMBL3436535 0.78 HRH3 (0.47) HRH3KMT2A
SCHEMBL10278139 0.77 KDM4E (0.50) OPRK1CHRM1CYP2C19KDM4EALDH1A1
SCHEMBL3552005 0.76 OPRK1 (0.43) OPRK1MAPTSMN1; SMN2CHRM1KDM4E
SCHEMBL3436507 0.76 KDM4E (0.51) OPRK1SMN1; SMN2CHRM1CYP2C19KDM4E
SCHEMBL3552903 0.75 KMT2A (0.44) OPRK1MAPTSMN1; SMN2CHRM1MEN1
SCHEMBL27703257 0.73 OPRK1 (0.45) OPRK1MAPTSMN1; SMN2HRH3CYP2C9

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 OPRK1 237/4885MAPT 1330/4885SMN1; SMN2 3601/4885

“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.