SCHEMBL4418576

SCHEMBL4418576

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

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OXTR P30559 5/20 0.67
AVPR1A P37288 3/20 0.67
FFAR2 O15552 2/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 2/20 0.38
LMNA P02545 2/20 0.38
MAPK1 P28482 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA4 P22748 2/20 0.37
CA9 Q16790 2/20 0.37
NAMPT P43490 1/20 0.37
HPGD P15428 1/20 0.36
ABCB1 P08183 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
SCHEMBL4418573 1.00 OXTR (0.67) OXTRAVPR1AFFAR2MEN1KMT2A
SCHEMBL6449338 1.00 OXTR (0.67) OXTRAVPR1AFFAR2MEN1KMT2A
SCHEMBL4415041 0.91 OXTR (0.80) OXTRAVPR1AFFAR2MEN1KMT2A
SCHEMBL4417747 0.91 OXTR (0.80) OXTRAVPR1AFFAR2MEN1KMT2A
SCHEMBL4415043 0.91 OXTR (0.80) OXTRAVPR1AFFAR2MEN1KMT2A
SCHEMBL4414525 0.91 OXTR (0.80) OXTRAVPR1AFFAR2MEN1KMT2A
SCHEMBL13789768 0.90 OXTR (0.63) OXTRAVPR1AFFAR2MEN1KMT2A
SCHEMBL4418290 0.90 OXTR (0.63) OXTRAVPR1AFFAR2MEN1KMT2A
SCHEMBL8319369 0.90 OXTR (0.63) OXTRAVPR1AFFAR2MEN1KMT2A
SCHEMBL4418288 0.90 OXTR (0.63) OXTRAVPR1AFFAR2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7115754-B2 Pyrrolidine derivatives as oxytocin antagonists APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2006-10-03 US claimed
US-20060004020-A1 Pyrrolidine derivatives as oxytocin antagonists MERCK SERONO SA (CH) 2006-01-05 US claimed
EP-1532109-B1 PYRROLIDINE DERIVATIVES AS OXYTOCIN ANTAGONISTS MERCK SERONO SA (CH) 2009-09-09 EP disclosed
US-7115754-B2 Pyrrolidine derivatives as oxytocin antagonists APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2006-10-03 US disclosed
US-20060004020-A1 Pyrrolidine derivatives as oxytocin antagonists MERCK SERONO SA (CH) 2006-01-05 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-20060004020-A1 Pyrrolidine derivatives as oxytocin antagonists OXTR, PRLHR, AVPR1A OXTR 1/4885AVPR1A 3/4885FFAR2 2061/4885

“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.