SCHEMBL5477597

SCHEMBL5477597

CCN(CC)CCNC(=O)C1CC(=Cc2ccccc2)CN1C(=O)C(c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.43
STAT3 P40763 1/20 0.42
OPRM1 P35372 1/20 0.42
TACR1 P25103 2/20 0.40
MAPT P10636 1/20 0.39
MITF O75030 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL4942758 1.00 SIGMAR1 (0.43) SIGMAR1STAT3OPRM1TACR1MAPT
SCHEMBL4942766 1.00 SIGMAR1 (0.43) SIGMAR1STAT3OPRM1TACR1MAPT
SCHEMBL5734803 0.82 OXTR (0.44) SIGMAR1STAT3OPRM1TACR1MAPT
SCHEMBL4939785 0.82 OXTR (0.44) SIGMAR1STAT3OPRM1TACR1MAPT
SCHEMBL4942283 0.80 OXTR (0.52) SIGMAR1OPRM1
SCHEMBL4942285 0.80 OXTR (0.52) SIGMAR1OPRM1
SCHEMBL4944099 0.80 OXTR (0.43) SIGMAR1OPRM1TACR1MAPTLMNA
SCHEMBL4944096 0.80 OXTR (0.43) SIGMAR1OPRM1TACR1MAPTLMNA
SCHEMBL4944683 0.78 OXTR (0.42) SIGMAR1OPRM1TACR1MAPTLMNA
SCHEMBL4944689 0.78 OXTR (0.42) SIGMAR1OPRM1TACR1MAPTLMNA

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-7211601-B2 Pharmaceutically active pyrrolidine derivatives APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2007-05-01 US disclosed
US-20030212012-A1 Pharmaceutically active pyrrolidine derivatives MERCK SERONO SA (CH) 2003-11-13 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-20030212012-A1 Pharmaceutically active pyrrolidine derivatives OXTR, CNR1, PRLHR SIGMAR1 48/4885STAT3 3983/4885OPRM1 75/4885

“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.