SCHEMBL29327388

SCHEMBL29327388

COC(=O)[C@H]1CNC[C@@H]1c1ccc(F)cc1F

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MC4R P32245 6/20 0.54
KCNH2 Q12809 1/20 0.52
PRCP P42785 8/20 0.44
HTR2C P28335 1/20 0.43
FPR1 P21462 2/20 0.40
FPR2 P25090 2/20 0.40
MTNR1B P49286 1/20 0.40

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
SCHEMBL1921102 1.00 MC4R (0.54) MC4RKCNH2PRCPHTR2CFPR1
SCHEMBL12533727 1.00 MC4R (0.54) MC4RKCNH2PRCPHTR2CFPR1
SCHEMBL1920424 1.00 MC4R (0.54) MC4RKCNH2PRCPHTR2CFPR1
SCHEMBL14610892 0.88 MC4R (0.46) MC4RKCNH2PRCPFPR1FPR2
SCHEMBL1920197 0.87 FPR1 (0.48) MC4RKCNH2FPR1FPR2
SCHEMBL21036774 0.87 FPR1 (0.44) MC4RKCNH2PRCPHTR2CFPR1
SCHEMBL21036775 0.87 FPR1 (0.44) MC4RKCNH2PRCPHTR2CFPR1
Hydrochloric Acid SCHEMBL20994326 0.86 FPR1 (0.43) MC4RKCNH2PRCPHTR2CFPR1
SCHEMBL23951714 0.83 MC4R (0.41) MC4RKCNH2
SCHEMBL3160522 0.83 MC4R (0.56) MC4RKCNH2PRCPHTR2CFPR1

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-20240238281-A1 PIPERAZINE DERIVATIVES AND APPLICATION THEREOF GUANGZHOU BAIYUNSHAN PHARMACEUTICAL HOLDINGS CO., LTD. BAIYUNSHAN PHARMACEUTICAL GENERAL FACTORY (CN) 2024-07-18 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-20240238281-A1 PIPERAZINE DERIVATIVES AND APPLICATION THEREOF AQP3, SLC6A7, ABCG2 MC4R 2367/4885KCNH2 265/4885PRCP 463/4885

“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.