SCHEMBL5628972

SCHEMBL5628972

CN1CCN(C(=O)c2ccc3n2Cc2ccccc2N(C(=O)c2ccc(C4CCCCC4)cc2)C3)CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 8/20 0.48
AVPR1A P37288 7/20 0.44
SLC6A7 Q99884 1/20 0.43
HTR2B P41595 1/20 0.41
POLB P06746 2/20 0.39
MGLL Q99685 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
RAD52 P43351 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD11B1 P28845 1/20 0.38
NAMPT P43490 2/20 0.38

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
SCHEMBL5629638 0.97 AVPR2 (0.46) AVPR2AVPR1ASLC6A7HTR2BPOLB
SCHEMBL5626957 0.91 AVPR1A (0.42) AVPR2AVPR1ASLC6A7HTR2BMGLL
SCHEMBL5626780 0.90 TSHR (0.45) AVPR2AVPR1ASLC6A7HTR2BMGLL
SCHEMBL5627644 0.90 NAMPT (0.44) AVPR2AVPR1ASLC6A7HTR2BPOLB
SCHEMBL5626594 0.89 AVPR1A (0.47) AVPR2AVPR1ASLC6A7HTR2BALDH1A1
SCHEMBL5626387 0.89 EPHX2 (0.42) AVPR2AVPR1ASLC6A7HTR2BALDH1A1
SCHEMBL5628682 0.88 L3MBTL3 (0.47) AVPR2AVPR1AHTR2BMEN1KMT2A
SCHEMBL5628142 0.88 AVPR2 (0.41) AVPR2AVPR1ASLC6A7HTR2BPOLB
SCHEMBL5626913 0.88 L3MBTL3 (0.47) AVPR2AVPR1AHTR2BMEN1KMT2A
SCHEMBL5654771 0.88 SLC6A7 (0.62) AVPR2AVPR1ASLC6A7HTR2BMGLL

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 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 AVPR2 49/4885AVPR1A 41/4885SLC6A7 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.