SCHEMBL1105752

SCHEMBL1105752

COC(=O)[C@H]1CNC(=O)C[C@@H]1c1cccc(F)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
PKM P14618 1/20 0.41
LMNA P02545 2/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
OPRK1 P41145 1/20 0.40
P2RX7 Q99572 1/20 0.40
FPR1 P21462 2/20 0.39
FPR2 P25090 2/20 0.39
RECQL P46063 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL4425092 0.85 SLC6A3 (0.46) ALDH1A1FPR1FPR2RECQL
SCHEMBL4425098 0.85 SLC6A3 (0.46) ALDH1A1FPR1FPR2RECQL
SCHEMBL4425103 0.85 SLC6A3 (0.46) ALDH1A1FPR1FPR2RECQL
SCHEMBL4427381 0.85 SLC6A3 (0.46) ALDH1A1FPR1FPR2RECQL
SCHEMBL1096906 0.84 SLC6A4 (0.49)
SCHEMBL19972382 0.83 FPR1 (0.53) ALDH1A1FPR1FPR2TP53
SCHEMBL19972383 0.83 FPR1 (0.53) ALDH1A1FPR1FPR2TP53
SCHEMBL23951797 0.82 ALDH1A1 (0.45) ALDH1A1LMNAOPRK1RECQLTDP1
SCHEMBL16108054 0.79 SCN8A (0.47) P2RX7FPR1FPR2
SCHEMBL16141409 0.79 SCN8A (0.47) P2RX7FPR1FPR2

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
US-8153658-B2 Piperidine derivative or salt thereof ASTELLAS PHARMA, INC. (JP) 2012-04-10 US disclosed
US-8153658-B2 Piperidine derivative or salt thereof ASTELLAS PHARMA, INC. (JP) 2012-04-10 US disclosed
US-20100029687-A1 PIPERIDINE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-02-04 US disclosed
US-20100029687-A1 PIPERIDINE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-02-04 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-20100029687-A1 PIPERIDINE DERIVATIVE OR SALT THEREOF CASR, CYP2R1, HCAR1 ALDH1A1 1644/4885PKM 3074/4885LMNA 3553/4885

“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.