SCHEMBL5630384

SCHEMBL5630384

O=C(c1ccc(C2CCCCC2)cc1)N1Cc2ccc(C(=O)n3ccnc3)n2Cc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 10/20 0.41
AVPR2 P30518 8/20 0.39
SLC6A7 Q99884 1/20 0.39
HTR2B P41595 1/20 0.35

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
SCHEMBL5626277 0.84 AVPR1A (0.48) AVPR1AAVPR2SLC6A7HTR2B
SCHEMBL5626552 0.83 AVPR1A (0.46) AVPR1AAVPR2SLC6A7HTR2B
SCHEMBL5626377 0.83 AVPR1A (0.46) AVPR1AAVPR2SLC6A7HTR2B
SCHEMBL5629020 0.83 AVPR1A (0.48) AVPR1AAVPR2SLC6A7HTR2B
SCHEMBL5654771 0.82 SLC6A7 (0.62) AVPR1AAVPR2SLC6A7HTR2B
SCHEMBL5628138 0.82 NAMPT (0.49)
SCHEMBL5653860 0.81 SLC6A7 (0.47) AVPR1AAVPR2SLC6A7HTR2B
SCHEMBL5628972 0.81 AVPR2 (0.48) AVPR1AAVPR2SLC6A7HTR2B
SCHEMBL5626382 0.81 AVPR1A (0.46) AVPR1AAVPR2HTR2B
SCHEMBL5626281 0.81 AVPR1A (0.46) AVPR1AAVPR2HTR2B

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
US-7202239-B2 Cyclohexylphenyl carboxamides tocolytic oxytocin receptor antagonists WYETH (US) 2007-04-10 US claimed
US-20030027815-A1 Novel cyclohexylphenyl carboxamides tocolytic oxytocin receptor antagonists WYETH 2003-02-06 US claimed
US-7202239-B2 Cyclohexylphenyl carboxamides tocolytic oxytocin receptor antagonists WYETH (US) 2007-04-10 US disclosed
US-20030027815-A1 Novel cyclohexylphenyl carboxamides tocolytic oxytocin receptor antagonists WYETH 2003-02-06 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-20030027815-A1 Novel cyclohexylphenyl carboxamides tocolytic oxytocin receptor antagonists OXTR, OPRL1, CRHR2 AVPR1A 41/4885AVPR2 49/4885SLC6A7 2077/4885

“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.