SCHEMBL5479784

SCHEMBL5479784

CS(=O)(=O)Nc1ccccc1N1CCN(C(=O)[C@@H](Cc2cccc(Cl)c2)NC(=O)[C@@H]2Cc3ccccc3CN2)CC1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MC4R P32245 14/20 0.61
TACR1 P25103 1/20 0.47
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMYD3 Q9H7B4 1/20 0.42
NPY5R Q15761 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 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
SCHEMBL4511343 0.92 MC4R (0.70) MC4RTACR1
SCHEMBL13790254 0.92 MC4R (0.70) MC4RTACR1
SCHEMBL13790198 0.92 MC4R (0.70) MC4RTACR1
SCHEMBL4515822 0.91 MC4R (0.61) MC4RTACR1SMYD3
SCHEMBL13790200 0.89 MC4R (0.67) MC4RTACR1
SCHEMBL13798834 0.87 MC4R (0.62) MC4RTACR1SMYD3MEN1KMT2A
SCHEMBL5478540 0.87 MC4R (0.59) MC4RTACR1SMYD3
SCHEMBL4531472 0.86 MC4R (0.61) MC4RTACR1SMYD3MEN1KMT2A
SCHEMBL4506555 0.86 MC4R (0.61) MC4RTACR1SMYD3MEN1KMT2A
SCHEMBL4519546 0.84 MC4R (0.54) MC4RTACR1CYP3A4SMYD3ALDH1A1

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-20070265248-A1 Substituted piperazines and methods of use AMGEN INC. (US) 2007-11-15 US claimed
US-20030220324-A1 Substituted piperazines and methods of use AMGEN INC. 2003-11-27 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20030220324-A1 Substituted piperazines and methods of use MC5R, MC4R, MC1R MC4R 2/4885TACR1 126/4885CYP1A2 239/4885
US-20070265248-A1 Substituted piperazines and methods of use MC5R, MC4R, MC1R MC4R 2/4885TACR1 126/4885CYP1A2 239/4885

“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.