SCHEMBL29327329

SCHEMBL29327329

O=C(O)[C@H]1CN(Cc2ccccc2)C[C@@H]1c1ccc(F)cc1F

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MC4R P32245 10/20 0.51
MC1R Q01726 3/20 0.51
DRD2 P14416 1/20 0.50
DRD3 P35462 1/20 0.50
MC5R P33032 3/20 0.48
SIGMAR1 Q99720 3/20 0.47
PRCP P42785 1/20 0.45
S1PR1 P21453 1/20 0.45
S1PR5 Q9H228 1/20 0.45
RORC P51449 1/20 0.45
MAOB P27338 1/20 0.44

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
SCHEMBL3160669 1.00 MC4R (0.51) MC4RMC1RDRD2DRD3MC5R
SCHEMBL3160673 1.00 MC4R (0.51) MC4RMC1RDRD2DRD3MC5R
SCHEMBL1714377 0.91 MC4R (0.52) MC4RMC1RDRD2DRD3MC5R
SCHEMBL1342943 0.91 MC4R (0.52) MC4RMC1RDRD2DRD3MC5R
SCHEMBL28924798 0.89 DPP4 (0.52) MC4RMC1RDRD2DRD3SIGMAR1
SCHEMBL5924116 0.88 DPP4 (0.51) DRD2DRD3SIGMAR1S1PR1S1PR5
SCHEMBL29327391 0.88 MC1R (0.51) MC4RMC1RDRD2DRD3MC5R
SCHEMBL1920165 0.88 MC1R (0.51) MC4RMC1RDRD2DRD3MC5R
SCHEMBL23924454 0.87 S1PR5 (0.49) DRD2DRD3SIGMAR1S1PR1S1PR5
SCHEMBL23924457 0.87 S1PR5 (0.49) DRD2DRD3SIGMAR1S1PR1S1PR5

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 2367/4885MC1R 2787/4885DRD2 752/4885

“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.