SCHEMBL4944689

SCHEMBL4944689

CCN(CC)CCNC(=O)[C@@H]1CC(=NOC(C)(C)C)CN1C(=O)C(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OXTR P30559 2/20 0.42
SIGMAR1 Q99720 1/20 0.40
GHSR Q92847 1/20 0.40
OPRM1 P35372 1/20 0.40
AVPR1A P37288 1/20 0.39
TACR1 P25103 2/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
MMP7 P09237 1/20 0.37
MMP13 P45452 1/20 0.37
MAPT P10636 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
AGTR2 P50052 1/20 0.36

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
SCHEMBL4944683 1.00 OXTR (0.42) OXTRSIGMAR1GHSROPRM1AVPR1A
SCHEMBL4942283 0.90 OXTR (0.52) OXTRSIGMAR1OPRM1AVPR1AAGTR2
SCHEMBL4942285 0.90 OXTR (0.52) OXTRSIGMAR1OPRM1AVPR1AAGTR2
SCHEMBL4944099 0.89 OXTR (0.43) OXTRSIGMAR1OPRM1AVPR1ATACR1
SCHEMBL4944096 0.89 OXTR (0.43) OXTRSIGMAR1OPRM1AVPR1ATACR1
SCHEMBL4941413 0.83 AGTR2 (0.41) OXTRGHSROPRM1MMP1MMP3
SCHEMBL4941411 0.83 AGTR2 (0.41) OXTRGHSROPRM1MMP1MMP3
SCHEMBL4942766 0.78 SIGMAR1 (0.43) SIGMAR1OPRM1TACR1LMNACYP1A2
SCHEMBL5477597 0.78 SIGMAR1 (0.43) SIGMAR1OPRM1TACR1LMNACYP1A2
SCHEMBL4942758 0.78 SIGMAR1 (0.43) SIGMAR1OPRM1TACR1LMNACYP1A2

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 7 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
US-20030171309-A1 Pharmaceutically active pyrrolidine derivatives as bax inhibitors MERCK SERONO SA (CH) 2003-09-11 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 (3 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 48/4885GHSR 1321/4885
US-20080167318-A1 Pharmaceutically active pyrrolidine derivatives OXTR, PRLHR, NR0B1 OXTR 1/4885SIGMAR1 55/4885GHSR 982/4885
US-20030171309-A1 Pharmaceutically active pyrrolidine derivatives as bax inhibitors SUCNR1, PYCR1, GLS OXTR 189/4885SIGMAR1 330/4885GHSR 1032/4885

“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.