SCHEMBL4936051

SCHEMBL4936051

CON=C1C[C@@H](C(=O)N2CCC(O)(c3ccccc3)CC2)N(C(=O)c2ccc(-c3cccnc3)cc2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OXTR P30559 6/20 0.49
LMNA P02545 2/20 0.48
ALDH1A1 P00352 2/20 0.48
AVPR1A P37288 4/20 0.42
CYP2D6 P10635 1/20 0.42
HPGD P15428 1/20 0.42
ABL1 P00519 2/20 0.41
BCR P11274 2/20 0.41
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
AVPR2 P30518 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PKM P14618 1/20 0.39
CNR2 P34972 1/20 0.39
GPR119 Q8TDV5 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
GHSR Q92847 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
SCHEMBL4936043 1.00 OXTR (0.49) OXTRLMNAALDH1A1AVPR1ACYP2D6
SCHEMBL4944110 0.93 OXTR (0.54) OXTRLMNAALDH1A1AVPR1ACYP2D6
SCHEMBL4944103 0.93 OXTR (0.54) OXTRLMNAALDH1A1AVPR1ACYP2D6
SCHEMBL4943207 0.93 OXTR (0.49) OXTRLMNAALDH1A1AVPR1ACYP2D6
SCHEMBL4943212 0.93 OXTR (0.49) OXTRLMNAALDH1A1AVPR1ACYP2D6
SCHEMBL5744595 0.86 ALDH1A1 (0.53) OXTRLMNAALDH1A1AVPR1ACYP2D6
SCHEMBL5744591 0.86 ALDH1A1 (0.53) OXTRLMNAALDH1A1AVPR1ACYP2D6
SCHEMBL4936854 0.80 OXTR (0.46) OXTRALDH1A1AVPR1AABL1BCR
SCHEMBL4942034 0.79 OXTR (0.58) OXTRLMNAALDH1A1AVPR1AHPGD
SCHEMBL4942028 0.79 OXTR (0.58) OXTRLMNAALDH1A1AVPR1AHPGD

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 10 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 claimed
EP-1268419-B1 PYRROLIDINE DERIVATIVES USEFUL AS BAX INHIBITORS APPLIED RESEARCH SYSTEMS (AN) 2006-06-21 EP claimed
US-20030212012-A1 Pharmaceutically active pyrrolidine derivatives MERCK SERONO SA (CH) 2003-11-13 US claimed
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-20030212012-A1 Pharmaceutically active pyrrolidine derivatives MERCK SERONO SA (CH) 2003-11-13 US disclosed
EP-1268419-A1 PYRROLIDINE DERIVATIVES USEFUL AS BAX INHIBITORS Applied Research Systems ARS Holding N.V. (AN) 2003-01-02 EP disclosed
WO-2001072705-A1 PHARMACEUTICALLY ACTIVE PYRROLIDINE DERIVATIVES AS BAX INHIBITORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2001-10-04 WO 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 1/4885LMNA 4054/4885ALDH1A1 3384/4885
US-20080167318-A1 Pharmaceutically active pyrrolidine derivatives OXTR, PRLHR, NR0B1 OXTR 1/4885LMNA 3767/4885ALDH1A1 3219/4885

“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.