SCHEMBL5729817

SCHEMBL5729817

CC(C)(C)N1CC(C(=O)O)C(c2ccc(F)cc2)C1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 14/20 0.44
▸ MC3R P41968 7/20 0.44
▸ MC5R P33032 7/20 0.44
▸ MC1R Q01726 6/20 0.44
▸ KCNH2 Q12809 4/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ HRH3 Q9Y5N1 2/20 0.41
▸ PRCP P42785 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
SCHEMBL5729813 1.00 MC4R (0.44) MC4RMC3RMC5RMC1RKCNH2
Hydrochloric Acid SCHEMBL5730506 0.99 MC4R (0.45) MC4RMC3RMC5RMC1RKCNH2
Hydrochloric Acid SCHEMBL5730511 0.99 MC4R (0.45) MC4RMC3RMC5RMC1RKCNH2
Hydrochloric Acid SCHEMBL5730509 0.99 MC4R (0.45) MC4RMC3RMC5RMC1RKCNH2
SCHEMBL7027450 0.86 HRH3 (0.54) MC4RMC3RMC5RMC1RHRH3
Hydrochloric Acid SCHEMBL2584752 0.86 MC4R (0.43) MC4RMC3RMC5RMC1RKCNH2
Hydrochloric Acid SCHEMBL14658470 0.86 MC4R (0.43) MC4RMC3RMC5RMC1RKCNH2
SCHEMBL2304570 0.85 MEN1 (0.46) MC4RMC3RMC5RALDH1A1
SCHEMBL2304994 0.85 MEN1 (0.46) MC4RMC3RMC5RALDH1A1
SCHEMBL21029282 0.85 RORC (0.42) MC4RALDH1A1HRH3PRCP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109563074-B Piperazine derivatives 安斯泰来制药株式会社 2021-09-28 — — CN disclosed
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
US-10301286-B2 Piperazine derivative ASTELLAS PHARMA INC. (JP) 2019-05-28 — — US disclosed
CN-109563074-A Bridged piperazine derivatives 安斯泰来制药株式会社 2019-04-02 — — CN disclosed
WO-2017022733-A1 PIPERAZINE DERIVATIVE アステラス製薬株式会社 2017-02-09 — — WO disclosed
EP-1372653-B1 ACYLATED PIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR AGONISTS MERCK & CO INC (US) 2006-10-04 — — EP disclosed
US-7015235-B2 Acylated piperidine derivatives as melanocortin-4 receptor agonists MERCK & CO., INC. (US) 2006-03-21 — — US disclosed
US-20060035935-A1 Acylated piperidine derivatives as melanocortin-4 receptor agonists GOULET MARK T 2006-02-16 — — US disclosed
US-20040097546-A1 Acylated piperidine derivatives as melanocortin-4 receptor agonists MERCK SHARP & DOHME CORP. 2004-05-20 — — 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 (5 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-20060035935-A1 Acylated piperidine derivatives as melanocortin-4 receptor agonists MC4R, MC5R, MC3R MC4R 1/4885MC3R 3/4885MC5R 2/4885
US-20040097546-A1 Acylated piperidine derivatives as melanocortin-4 receptor agonists MC4R, MC5R, MC3R MC4R 1/4885MC3R 3/4885MC5R 2/4885
US-10301286-B2 Piperazine derivative GPR4, MC4R, TRPC4 MC4R 2/4885MC3R 19/4885MC5R 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.

Send feedback