SCHEMBL29327382

SCHEMBL29327382

COC(=O)[C@H]1CN(c2ccc(C#N)cn2)C[C@@H]1c1ccc(F)cc1F

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MC4R P32245 14/20 0.46
MC3R P41968 6/20 0.46
MC5R P33032 1/20 0.46
KCNH2 Q12809 1/20 0.46
DPP4 P27487 1/20 0.46
DPP8 Q6V1X1 1/20 0.46
DPP9 Q86TI2 1/20 0.46
DPP7 Q9UHL4 1/20 0.46
GRM4 Q14833 1/20 0.44
MC1R Q01726 2/20 0.41
BRD4 O60885 1/20 0.40
TACR3 P29371 1/20 0.40
USP30 Q70CQ3 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
SCHEMBL14028098 1.00 MC4R (0.46) MC4RMC3RMC5RKCNH2DPP4
SCHEMBL29327394 0.88 DPP4 (0.51) MC4RMC3RMC5RKCNH2DPP4
SCHEMBL4615034 0.88 DPP4 (0.51) MC4RMC3RMC5RKCNH2DPP4
SCHEMBL12536904 0.84 PANK3 (0.45) MC4RMC3RMC5RKCNH2MC1R
SCHEMBL15039509 0.84 PANK3 (0.45) MC4RMC3RMC5RKCNH2MC1R
SCHEMBL15039510 0.79 MC4R (0.46) MC4RMC3RMC5RKCNH2MC1R
SCHEMBL2307981 0.79 KMT2A (0.49) MC4RMC3RMC5RKCNH2MC1R
SCHEMBL4603259 0.78 MC4R (0.54) MC4RMC3RMC5RKCNH2MC1R
SCHEMBL12536922 0.78 MC4R (0.42) MC4RMC3RMC5RKCNH2MC1R
SCHEMBL4603038 0.78 MC4R (0.51) MC4RMC3RMC5RKCNH2MC1R

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 2367/4885MC3R 1834/4885MC5R 1441/4885

“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.