SCHEMBL20994255

SCHEMBL20994255

C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)[C@@H]1CN(C(C)(C)C)C[C@H]1c1ccc(F)cc1F

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MC4R P32245 20/20 0.58
MC3R P41968 7/20 0.56
MC5R P33032 6/20 0.56
MC1R Q01726 5/20 0.56
KCNH2 Q12809 3/20 0.56

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
SCHEMBL21035853 0.93 MC4R (0.61) MC4RMC3RMC5RMC1RKCNH2
SCHEMBL20994306 0.89 MC4R (0.59) MC4RMC3RMC5RMC1RKCNH2
SCHEMBL28646063 0.89 MC4R (0.63) MC4RMC3RMC5RMC1RKCNH2
SCHEMBL21124303 0.84 MC4R (0.54) MC4RMC3RMC5RMC1RKCNH2
SCHEMBL21123989 0.84 MC4R (0.59) MC4RMC3RMC5RMC1RKCNH2
SCHEMBL21123794 0.83 MC4R (0.57) MC4RMC3RMC5RMC1RKCNH2
SCHEMBL21029714 0.83 MC4R (0.68) MC4R
SCHEMBL21124447 0.82 MC4R (0.59) MC4RMC3RMC5RMC1RKCNH2
SCHEMBL21124305 0.82 MC4R (0.58) MC4RMC3RMC5RMC1RKCNH2
SCHEMBL21124449 0.82 MC4R (0.58) MC4RMC3RMC5RMC1RKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3489231-B1 PIPERAZINE DERIVATIVE ASTELLAS PHARMA INC (JP) 2021-06-09 EP disclosed
EP-3489231-B1 PIPERAZINE DERIVATIVE ASTELLAS PHARMA INC (JP) 2021-06-09 EP disclosed
US-10710988-B2 Piperazine derivative ASTELLAS PHARMA INC. (JP) 2020-07-14 US disclosed
US-10710988-B2 Piperazine derivative ASTELLAS PHARMA INC. (JP) 2020-07-14 US disclosed
US-20190202815-A1 PIPERAZINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2019-07-04 US disclosed
US-20190202815-A1 PIPERAZINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2019-07-04 US disclosed
EP-3489231-A1 PIPERAZINE DERIVATIVE Astellas Pharma Inc. (JP) 2019-05-29 EP disclosed
EP-3489231-A1 PIPERAZINE DERIVATIVE Astellas Pharma Inc. (JP) 2019-05-29 EP 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 (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-10710988-B2 Piperazine derivative GPR4, MC4R, TRPC4 MC4R 2/4885MC3R 14/4885MC5R 6/4885
US-20190202815-A1 PIPERAZINE DERIVATIVE GPR4, MC4R, TRPC4 MC4R 2/4885MC3R 14/4885MC5R 6/4885

“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.