SCHEMBL1105739

SCHEMBL1105739

CCOC(=O)[C@H]1CCNC[C@@H]1c1cccc(F)c1

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.72
PKM P14618 1/20 0.72
ALDH1A1 P00352 2/20 0.44
TDP1 Q9NUW8 1/20 0.42
CHRM3 P20309 1/20 0.42
TACR1 P25103 3/20 0.41
AKT1 P31749 3/20 0.41

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
SCHEMBL17486609 0.91 MAPT (0.59) MAPTPKMALDH1A1CHRM3AKT1
SCHEMBL17485213 0.91 MAPT (0.59) MAPTPKMALDH1A1CHRM3AKT1
SCHEMBL17485233 0.91 MAPT (0.59) MAPTPKMALDH1A1CHRM3AKT1
SCHEMBL12617850 0.87 MAPT (0.74) MAPTPKMTACR1
SCHEMBL12652627 0.87 MAPT (0.74) MAPTPKMTACR1
SCHEMBL3007095 0.85 MAPT (0.97) MAPTPKMALDH1A1CHRM3TACR1
SCHEMBL1105979 0.85 MAPT (0.97) MAPTPKMALDH1A1CHRM3TACR1
SCHEMBL1095808 0.85 MAPT (0.97) MAPTPKMALDH1A1CHRM3TACR1
SCHEMBL3209495 0.85 MAPT (0.97) MAPTPKMALDH1A1CHRM3TACR1
SCHEMBL28660767 0.85 MAPT (0.97) MAPTPKMALDH1A1CHRM3TACR1

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 MAPT 4561/4885PKM 3074/4885ALDH1A1 1644/4885

“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.