SCHEMBL10277930

SCHEMBL10277930

CCN1CCN(c2cc(OC)ccc2N=O)CC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.46
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
HTR6 P50406 2/20 0.43
HRH3 Q9Y5N1 1/20 0.43
TSHR P16473 1/20 0.42
KDM2B Q8NHM5 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
DRD2 P14416 2/20 0.42
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL13073690 0.77 MAPK1 (0.56) CHRM1KDM4ELMNAMAPTMAPK1
SCHEMBL3551745 0.76 CHRNA7 (0.51) CHRM1KDM4ELMNAMAPTHTR6
SCHEMBL1911922 0.75 POLB (0.47) KDM4EALDH1A1LMNAMAPTKMT2A
SCHEMBL3550984 0.72 MAPT (0.53) CHRM1ALDH1A1MAPTTSHRKMT2A
SCHEMBL3551611 0.71 MAPT (0.54) CHRM1KDM4EALDH1A1LMNAMAPT
SCHEMBL8353109 0.71 DRD2 (0.75) KDM4EALDH1A1LMNAMAPTHRH3
SCHEMBL8353732 0.70 DRD2 (0.77) KDM4EALDH1A1MAPTTSHRNPC1
SCHEMBL25124477 0.69 HRH3 (0.42) CHRM1KDM4EALDH1A1LMNAMAPT
SCHEMBL10277927 0.69 DRD2 (0.42) LMNAMAPTHRH3KMT2ADRD2
SCHEMBL3545115 0.69 KDM2B (0.46) KDM4EALDH1A1MAPTHTR6HRH3

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 CHRM1 555/4885KDM4E 1834/4885ALDH1A1 975/4885

“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.