SCHEMBL5628682

SCHEMBL5628682

O=C(c1ccc2n1Cc1ccccc1N(C(=O)c1ccc(C3CCCCC3)cc1)C2)N1CCC(N2CCCC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 14/20 0.47
L3MBTL1 Q9Y468 12/20 0.47
MBTD1 Q05BQ5 5/20 0.47
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 1/20 0.45
TP53BP1 Q12888 1/20 0.45
L3MBTL4 Q8NA19 1/20 0.45
AVPR1A P37288 1/20 0.42
NAMPT P43490 1/20 0.42
AVPR2 P30518 1/20 0.42
HTR2B P41595 1/20 0.41

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
SCHEMBL5626913 1.00 L3MBTL3 (0.47) L3MBTL3L3MBTL1MBTD1KDM4EMEN1
SCHEMBL5627506 0.93 L3MBTL3 (0.43) L3MBTL3L3MBTL1MBTD1KDM4EMEN1
SCHEMBL5628972 0.88 AVPR2 (0.48) MEN1ALDH1A1KMT2AAVPR1ANAMPT
SCHEMBL5629638 0.86 AVPR2 (0.46) MEN1ALDH1A1KMT2AAVPR1AAVPR2
SCHEMBL5626957 0.85 AVPR1A (0.42) ALDH1A1AVPR1AAVPR2HTR2B
SCHEMBL5784232 0.85 AVPR2 (0.54) L3MBTL3L3MBTL1MBTD1KDM4EMEN1
SCHEMBL5627644 0.84 NAMPT (0.44) ALDH1A1AVPR1ANAMPTAVPR2HTR2B
SCHEMBL5626780 0.84 TSHR (0.45) AVPR1AAVPR2HTR2B
SCHEMBL5626277 0.84 AVPR1A (0.48) ALDH1A1AVPR1AAVPR2HTR2B
SCHEMBL5783445 0.84 AVPR2 (0.54) L3MBTL3L3MBTL1MBTD1KDM4EMEN1

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-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
EP-1377582-A1 NOVEL 3-C(O)R SUBSTITUTED 10-CYCLOHEXYLBENZOYL PYRROLOBENZODIAZEPINES; TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS Wyeth (US) 2004-01-07 EP disclosed
US-20030027815-A1 Novel cyclohexylphenyl carboxamides tocolytic oxytocin receptor antagonists WYETH 2003-02-06 US disclosed
WO-2002085907-A1 NOVEL 3-C(O)R SUBSTITUTED 10-CYCLOHEXYLBENZOYL PYRROLOBENZODIAZEPINES; TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS WYETH (US) 2002-10-31 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-20030027815-A1 Novel cyclohexylphenyl carboxamides tocolytic oxytocin receptor antagonists OXTR, OPRL1, CRHR2 L3MBTL3 3571/4885L3MBTL1 3600/4885MBTD1 3473/4885

“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.