SCHEMBL4128651

SCHEMBL4128651

CC(C)(CN1CCCCC1)C(N)C=O

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.34
ERAP2 Q6P179 1/20 0.34
HSD17B10 Q99714 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
TSHR P16473 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL2856917 0.94
SCHEMBL19634468 0.71 MEN1 (0.36) SMN1; SMN2TSHRALDH1A1
SCHEMBL19226221 0.70 PSEN1 (0.32) ANPEPERAP2
SCHEMBL15541721 0.70 SMN1; SMN2 (0.38) HSD17B10SMN1; SMN2TSHRALDH1A1
SCHEMBL342302 0.70 SMN1; SMN2 (0.38) HSD17B10SMN1; SMN2TSHRALDH1A1
SCHEMBL341318 0.67 SMN1; SMN2 (0.34) HSD17B10SMN1; SMN2TSHRALDH1A1
SCHEMBL372303 0.66 SIGMAR1 (0.36) SMN1; SMN2TSHRALDH1A1
SCHEMBL7477423 0.66 ANPEP (0.48) ANPEPERAP2HSD17B10SMN1; SMN2ALDH1A1
SCHEMBL30785507 0.65 TDP1 (0.36) HSD17B10SMN1; SMN2TSHRALDH1A1
SCHEMBL24891399 0.65 HRH3 (0.39) SMN1; SMN2TSHRALDH1A1

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-8431565-B2 Substituted imidazoheterocycles CARA THERAPEUTICS, INC. (US) 2013-04-30 US claimed
US-20090149450-A1 SUBSTITUTED IMIDAZOHETEROCYCLES CARA THERAPEUTICS, INC. (US) 2009-06-11 US claimed

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-20090149450-A1 SUBSTITUTED IMIDAZOHETEROCYCLES CNR1, CNR2, TRPV1 ANPEP 3896/4885ERAP2 2997/4885HSD17B10 2511/4885

“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.