SCHEMBL19806288

SCHEMBL19806288

CC(C)N1C[C@@H](C(=O)O)[C@H](c2ccc(F)cc2)C1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 3/20 0.56
▸ MC4R P32245 7/20 0.45
▸ ALDH1A1 P00352 1/20 0.44
▸ MC5R P33032 1/20 0.43
▸ MC3R P41968 1/20 0.43
▸ MC1R Q01726 1/20 0.43
▸ CCR5 P51681 1/20 0.41
▸ SLC6A3 Q01959 3/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ SLC6A2 P23975 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
Hydrochloric Acid SCHEMBL20994284 0.98 HRH3 (0.54) HRH3MC4RALDH1A1MC5RMC3R
SCHEMBL6310150 0.85 MC4R (0.54) MC4R
SCHEMBL6310157 0.85 MC4R (0.54) MC4R
SCHEMBL6310147 0.85 MC4R (0.54) MC4R
SCHEMBL7899722 0.85 RORC (0.43) HRH3MC4RSLC6A3SLC6A4SLC6A2
SCHEMBL1970756 0.85 ALDH1A1 (0.46) HRH3ALDH1A1CCR5
SCHEMBL1920938 0.82 MC4R (0.62) HRH3MC4RMC5RMC3RMC1R
SCHEMBL9137609 0.81 MEN1 (0.49) ALDH1A1
SCHEMBL8783095 0.81 MEN1 (0.49) ALDH1A1
SCHEMBL20994294 0.81 HRH3 (0.49) HRH3MC4RSLC6A3SLC6A4SLC6A2

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 6 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
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
EP-3489231-A1 PIPERAZINE DERIVATIVE Astellas Pharma Inc. (JP) 2019-05-29 — — EP disclosed
WO-2018016458-A1 PIPERAZINE DERIVATIVE アステラス製薬株式会社 2018-01-25 — — WO 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 HRH3 221/4885MC4R 2/4885ALDH1A1 2792/4885
US-20190202815-A1 PIPERAZINE DERIVATIVE GPR4, MC4R, TRPC4 HRH3 221/4885MC4R 2/4885ALDH1A1 2792/4885

“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.

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