SCHEMBL6201929

SCHEMBL6201929

Cc1cc(C(=O)N2CCC(=O)Nc3ccccc32)ccc1CN

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.60
CRBN Q96SW2 2/20 0.52
ALDH1A1 P00352 2/20 0.50
LMNA P02545 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
AVPR2 P30518 8/20 0.46
HTT P42858 1/20 0.46
PDCD1 Q15116 1/20 0.46
CD274 Q9NZQ7 1/20 0.46
AVPR1A P37288 3/20 0.45
OXTR P30559 1/20 0.44
NR3C2 P08235 1/20 0.43

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
SCHEMBL6202811 0.81 BRD4 (0.60) BRD4CRBNALDH1A1LMNANPSR1
Hydrochloric Acid SCHEMBL5270039 0.81 AVPR2 (0.56) AVPR2PDCD1CD274AVPR1AOXTR
SCHEMBL6970210 0.80 BRD4 (0.59) BRD4CRBNALDH1A1LMNANPSR1
SCHEMBL2937306 0.78 AVPR2 (0.58) ALDH1A1AVPR2PDCD1CD274
SCHEMBL6966461 0.78 BRD4 (0.65) BRD4CRBNALDH1A1LMNANPSR1
SCHEMBL1346004 0.77 AVPR2 (0.69) AVPR2AVPR1AOXTR
SCHEMBL6972632 0.77 BRD4 (0.61) BRD4CRBNALDH1A1LMNANPSR1
SCHEMBL20277652 0.76 AVPR1A (0.52) BRD4ALDH1A1LMNANPSR1AVPR2
Hydrochloric Acid SCHEMBL4195564 0.76 AVPR2 (0.68) AVPR2AVPR1AOXTR
Hydrochloric Acid SCHEMBL5552018 0.76 PDCD1 (0.47) AVPR2PDCD1CD274AVPR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1399436-B1 OXYTOCIN AGONISTS FERRING BV (NL) 2005-03-16 EP disclosed
US-20040235753-A1 Oxytocin agonists PITT GRAY ROBERT WILLIAM (GB) 2004-11-25 US disclosed
EP-1399436-A2 OXYTOCIN AGONISTS Ferring BV (NL) 2004-03-24 EP disclosed
WO-2003000692-A2 OXYTOCIN AGONISTS FERRING BV (NL) 2003-01-03 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 (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-20040235753-A1 Oxytocin agonists OXTR, GNRHR, PRLHR BRD4 3590/4885CRBN 3797/4885ALDH1A1 3533/4885

“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.