SCHEMBL5628138

SCHEMBL5628138

O=C(NCCCn1ccnc1)c1ccc2n1Cc1ccccc1N(C(=O)c1ccc(C3CCCCC3)cc1)C2

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 4/20 0.49
POLB P06746 1/20 0.43
KMT2A Q03164 3/20 0.42
ALOX15 P16050 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 4/20 0.40
MAPT P10636 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MEN1 O00255 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
CYP19A1 P11511 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL5783704 0.84 AVPR1A (0.51) NAMPTPOLBKMT2AALDH1A1MEN1
SCHEMBL5785896 0.83 NAMPT (0.50) NAMPTPOLBKMT2AALDH1A1MAPT
SCHEMBL5627464 0.83 AVPR1A (0.47) NAMPTALDH1A1
SCHEMBL5626711 0.83 EPHX2 (0.44) NAMPTCYP1A2CYP2D6CYP2C9ALDH1A1
SCHEMBL5628198 0.82 AVPR1A (0.40) NAMPTSMN1; SMN2ALDH1A1MAPT
SCHEMBL5630384 0.82 AVPR1A (0.41)
SCHEMBL5627361 0.82 NAMPT (0.45) NAMPTSMN1; SMN2NPC1CYP1A2CYP3A4
SCHEMBL5784629 0.82 NAMPT (0.46) NAMPTPOLBKMT2AALOX15ALDH1A1
SCHEMBL5626281 0.81 AVPR1A (0.46) SMN1; SMN2
SCHEMBL5628387 0.80 TSHR (0.43) NAMPTSMN1; SMN2ALDH1A1MAPK1TSHR

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 6 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
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 NAMPT 4023/4885POLB 3362/4885KMT2A 2697/4885

“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.