SCHEMBL28649696

SCHEMBL28649696

C[C@H](c1cccc2ccccc12)N1CCCC1=O

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.54
PTGER3 P43115 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
IDH1 O75874 1/20 0.38
MAPT P10636 1/20 0.38
CASR P41180 2/20 0.38
NPBWR1 P48145 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37

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
SCHEMBL28650527 1.00 HSD11B1 (0.54) HSD11B1PTGER3ALDH1A1CYP1A2CYP2C9
SCHEMBL3974078 0.80 HSD11B1 (0.51) HSD11B1CYP2C19MEN1KMT2A
SCHEMBL16984808 0.79 HSD11B1 (0.41) HSD11B1PTGER3MAPTCASRMEN1
SCHEMBL25276584 0.77 HSD11B1 (0.57) HSD11B1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL25276585 0.77 HSD11B1 (0.57) HSD11B1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL25687839 0.77 HSD11B1 (0.57) HSD11B1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL27834509 0.76 HCRTR1 (0.49) ALDH1A1CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL27834512 0.76 L3MBTL1 (0.46) ALDH1A1MAPTMEN1KMT2A
SCHEMBL28353609 0.75 CHRM2 (0.36) HSD11B1PTGER3ALDH1A1MAPT
SCHEMBL8983498 0.74 ALDH1A1 (0.46) HSD11B1ALDH1A1CYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113548994-A Preparation method of (S) -3- (2, 2, 2-trifluoroethyl) -pyrrolidine hydrochloride 西安都创医药科技有限公司 2021-10-26 CN claimed
US-20240327343-A1 PREPARATION METHOD OF 3- (2, 2, 2-TRIFLUOROETHYL) PYRROLIDINE HYDROCHLORIDE Pierre Fabre Médicament (FR) 2024-10-03 US disclosed
CN-118715203-A Preparation method of 3- (2, 2-trifluoroethyl) pyrrolidine hydrochloride 皮埃尔法布雷医药公司 2024-09-27 CN disclosed
CN-113548994-A Preparation method of (S) -3- (2, 2, 2-trifluoroethyl) -pyrrolidine hydrochloride 西安都创医药科技有限公司 2021-10-26 CN 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-20240327343-A1 PREPARATION METHOD OF 3- (2, 2, 2-TRIFLUOROETHYL) PYRROLIDINE HYDROCHLORIDE TET3, PEF1, TET2 HSD11B1 3350/4885PTGER3 2683/4885ALDH1A1 1892/4885

“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.