SCHEMBL4944096

SCHEMBL4944096

CCO/N=C1\C[C@@H](C(=O)NCCN(CC)CC)N(C(=O)C(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OXTR P30559 2/20 0.43
SIGMAR1 Q99720 1/20 0.41
OPRM1 P35372 1/20 0.41
AVPR1A P37288 1/20 0.40
TACR1 P25103 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
AGTR2 P50052 1/20 0.38
P4HB P07237 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL4944099 1.00 OXTR (0.43) OXTRSIGMAR1OPRM1AVPR1ATACR1
SCHEMBL4942283 0.92 OXTR (0.52) OXTRSIGMAR1OPRM1AVPR1AAGTR2
SCHEMBL4942285 0.92 OXTR (0.52) OXTRSIGMAR1OPRM1AVPR1AAGTR2
SCHEMBL4944689 0.89 OXTR (0.42) OXTRSIGMAR1OPRM1AVPR1ATACR1
SCHEMBL4944683 0.89 OXTR (0.42) OXTRSIGMAR1OPRM1AVPR1ATACR1
SCHEMBL4941413 0.88 AGTR2 (0.41) OXTROPRM1AGTR2
SCHEMBL4941411 0.88 AGTR2 (0.41) OXTROPRM1AGTR2
SCHEMBL4936042 0.86 OXTR (0.49) OXTRSIGMAR1OPRM1AVPR1ATACR1
SCHEMBL4936046 0.86 OXTR (0.49) OXTRSIGMAR1OPRM1AVPR1ATACR1
SCHEMBL4942366 0.85 OXTR (0.46) OXTRAVPR1AAGTR2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080167318-A1 Pharmaceutically active pyrrolidine derivatives APPLIED RESEARCH SYSTEM ARS HOLDING N.V. (NL) 2008-07-10 US disclosed
US-7211601-B2 Pharmaceutically active pyrrolidine derivatives APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2007-05-01 US disclosed
EP-1268419-B1 PYRROLIDINE DERIVATIVES USEFUL AS BAX INHIBITORS APPLIED RESEARCH SYSTEMS (AN) 2006-06-21 EP disclosed
EP-1268418-B1 PHARMACEUTICALLY ACTIVE PYRROLIDINE DERIVATIVES AS BAX INHIBITORS APPLIED RESEARCH SYSTEMS (AN) 2006-06-14 EP disclosed
US-7018988-B2 Pharmaceutically active pyrrolidine derivatives as Bax inhibitors APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2006-03-28 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 (2 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 OXTR 1/4885SIGMAR1 48/4885OPRM1 75/4885
US-20080167318-A1 Pharmaceutically active pyrrolidine derivatives OXTR, PRLHR, NR0B1 OXTR 1/4885SIGMAR1 55/4885OPRM1 66/4885

“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.