SCHEMBL5486199

SCHEMBL5486199

Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCCC(OC(=O)C(C)(C)C)c2cc(Cl)ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 12/20 0.47
AVPR1A P37288 2/20 0.47
ABCB11 O95342 1/20 0.47
ADRB2 P07550 1/20 0.47
HTR1A P08908 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
CHRM1 P11229 1/20 0.47
TBXA2R P21731 1/20 0.47
HTR2C P28335 1/20 0.47
HRH1 P35367 1/20 0.47
OPRM1 P35372 1/20 0.47
GLP1R P43220 1/20 0.47
TMEM97 Q5BJF2 1/20 0.47
FFAR4 Q5NUL3 1/20 0.47
GPR119 Q8TDV5 1/20 0.47
LMNA P02545 4/20 0.39
ALDH1A1 P00352 3/20 0.39
RECQL P46063 1/20 0.39
RAB9A P51151 1/20 0.39
PAX8 Q06710 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
SCHEMBL5474822 0.90 MAPT (0.39) AVPR2AVPR1AABCB11ADRB2HTR1A
SCHEMBL5496053 0.86 AVPR2 (0.58) AVPR2AVPR1AABCB11ADRB2HTR1A
SCHEMBL28475504 0.83 AVPR2 (0.49) AVPR2AVPR1AABCB11ADRB2HTR1A
SCHEMBL4680537 0.81 AVPR2 (0.47) AVPR2AVPR1AABCB11ADRB2HTR1A
SCHEMBL4681175 0.81 AVPR2 (0.47) AVPR2AVPR1AABCB11ADRB2HTR1A
SCHEMBL4681077 0.80 AVPR2 (0.42) AVPR2AVPR1AABCB11ADRB2HTR1A
SCHEMBL4681642 0.79 AVPR2 (0.41) AVPR2AVPR1AABCB11ADRB2HTR1A
SCHEMBL4685314 0.77 AVPR2 (0.42) AVPR2AVPR1AABCB11ADRB2HTR1A
SCHEMBL30824934 0.77 AVPR2 (0.70) AVPR2AVPR1ALMNAALDH1A1RECQL
SCHEMBL4684949 0.76 MGLL (0.42) AVPR2AVPR1AABCB11ADRB2HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070185323-A1 Method of preparing benzazepines and derivatives thereof ECOLE POLYTECHNIQUE (FR) 2007-08-09 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-20070185323-A1 Method of preparing benzazepines and derivatives thereof CYP2F1, MAOB, CYP1A2 AVPR2 1203/4885AVPR1A 2001/4885ABCB11 3034/4885

“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.