SCHEMBL5479504

SCHEMBL5479504

O=C(NCCc1ccccc1O)[C@@H]1CC(=CCl)CN1C(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OXTR P30559 2/20 0.43
HTR1A P08908 3/20 0.42
HTR1B P28222 3/20 0.42
HTR2A P28223 3/20 0.42
HTR2C P28335 3/20 0.42
HTR2B P41595 3/20 0.42
HIF1A Q16665 3/20 0.41
LMNA P02545 2/20 0.39
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
AVPR1A P37288 1/20 0.36
POLB P06746 1/20 0.36
CDK4 P11802 1/20 0.35
CCND1 P24385 1/20 0.35
PKM P14618 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34
F10 P00742 1/20 0.33
PDE4B Q07343 1/20 0.33

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
SCHEMBL4945279 0.83 OXTR (0.50) OXTRLMNAAVPR1APOLBPKM
SCHEMBL5744299 0.83 OXTR (0.50) OXTRLMNAAVPR1APOLBPKM
SCHEMBL5742340 0.81 OXTR (0.67) OXTRHTR1AHTR1BHTR2AHTR2C
SCHEMBL4940128 0.79 OXTR (0.67) OXTRHTR1AHTR1BHTR2AHTR2C
SCHEMBL4940121 0.79 OXTR (0.67) OXTRHTR1AHTR1BHTR2AHTR2C
SCHEMBL7219644 0.77 ALDH1A1 (0.46) OXTRUSP2ALDH1A1POLB
SCHEMBL4938283 0.77 ALDH1A1 (0.46) OXTRUSP2ALDH1A1POLB
SCHEMBL4945363 0.77 LMNA (0.52) OXTRLMNAALDH1A1AVPR1APOLB
SCHEMBL4942737 0.76 ALDH1A1 (0.47) LMNAALDH1A1POLB
SCHEMBL4939785 0.71 OXTR (0.44) OXTRLMNAALDH1A1AVPR1APOLB

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 OXTR 1/4885HTR1A 875/4885HTR1B 410/4885

“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.