SCHEMBL5451899

SCHEMBL5451899

CN(C)C(=O)N(C1CCCCC1)C1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)N[C@H]2CC[C@H](Nc3ccc(F)cc3)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 4/20 0.42
MLNR O43193 2/20 0.41
CYP3A4 P08684 2/20 0.41
OXTR P30559 1/20 0.41
FPR1 P21462 4/20 0.41
FPR2 P25090 4/20 0.41
PYGL P06737 1/20 0.41
PYGM P11217 1/20 0.41
CYP51A1 Q16850 1/20 0.41
MC4R P32245 4/20 0.39
TRPV1 Q8NER1 1/20 0.39
CCR1 P32246 2/20 0.38
KMT2A Q03164 1/20 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
SCHEMBL5452002 1.00 AVPR1A (0.42) AVPR1AMLNRCYP3A4OXTRFPR1
SCHEMBL5451904 1.00 AVPR1A (0.42) AVPR1AMLNRCYP3A4OXTRFPR1
SCHEMBL5452964 0.91 ALDH1A1 (0.44) AVPR1ACYP51A1MC4RTRPV1CCR1
SCHEMBL5454454 0.91 ALDH1A1 (0.44) AVPR1ACYP51A1MC4RTRPV1CCR1
SCHEMBL5452961 0.91 ALDH1A1 (0.44) AVPR1ACYP51A1MC4RTRPV1CCR1
SCHEMBL5454481 0.90 MLNR (0.40) AVPR1AMLNRCYP3A4OXTRFPR1
SCHEMBL5458155 0.87 AVPR1A (0.47) AVPR1AOXTRCYP51A1MC4RTRPV1
SCHEMBL5456597 0.87 AVPR1A (0.47) AVPR1AOXTRCYP51A1MC4RTRPV1
SCHEMBL5456601 0.87 AVPR1A (0.47) AVPR1AOXTRCYP51A1MC4RTRPV1
SCHEMBL5454442 0.87 CYP3A4 (0.42) AVPR1ACYP3A4CYP51A1MC4RTRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070191364-A1 AMINOPIPERIDINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2007-08-16 US claimed
US-20070191364-A1 AMINOPIPERIDINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2007-08-16 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-20070191364-A1 AMINOPIPERIDINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF MC4R, MC5R, TAAR5 AVPR1A 12/4885MLNR 209/4885CYP3A4 872/4885

“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.