SCHEMBL1095808

SCHEMBL1095808

CCOC(=O)[C@H]1CCNC[C@H]1c1ccccc1

nearest known ligand 0.97

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.97
PKM P14618 1/20 0.97
TACR1 P25103 3/20 0.48
TSHR P16473 1/20 0.47
ALDH1A1 P00352 2/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP2D6 P10635 3/20 0.44
SLC6A3 Q01959 3/20 0.44
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
CHRM3 P20309 1/20 0.44
KCNH2 Q12809 1/20 0.44
BACE1 P56817 1/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
SLC18A2 Q05940 1/20 0.43

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
SCHEMBL3209495 1.00 MAPT (0.97) MAPTPKMTACR1TSHRALDH1A1
SCHEMBL28660767 1.00 MAPT (0.97) MAPTPKMTACR1TSHRALDH1A1
SCHEMBL3007095 1.00 MAPT (0.97) MAPTPKMTACR1TSHRALDH1A1
SCHEMBL1105979 1.00 MAPT (0.97) MAPTPKMTACR1TSHRALDH1A1
Hydrochloric Acid SCHEMBL1097377 0.99 MAPT (1.00) MAPTPKMTACR1TSHRALDH1A1
Hydrochloric Acid SCHEMBL28668754 0.99 MAPT (1.00) MAPTPKMTACR1TSHRALDH1A1
SCHEMBL19483128 0.89 MAPT (0.79) MAPTPKMTSHRALDH1A1HTT
SCHEMBL17486606 0.89 MAPT (0.79) MAPTPKMTSHRALDH1A1HTT
SCHEMBL6029174 0.89 MAPT (0.79) MAPTPKMTSHRALDH1A1HTT
SCHEMBL17485269 0.89 MAPT (0.79) MAPTPKMTSHRALDH1A1HTT

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
US-8153658-B2 Piperidine derivative or salt thereof ASTELLAS PHARMA, INC. (JP) 2012-04-10 US disclosed
US-20100035865-A1 Sulfonamides and Pharmaceutical Compositions Thereof PFIZER INC 2010-02-11 US disclosed
US-20100029687-A1 PIPERIDINE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-02-04 US disclosed
EP-2142505-A1 SULFONAMIDES AND PHARMACEUTICAL COMPOSITIONS THEREOF Pfizer, Inc. (US) 2010-01-13 EP disclosed
EP-2085383-A1 PIPERIDINE DERIVATIVES OR SALTS THEREOF Astellas Pharma Inc. (JP) 2009-08-05 EP disclosed
WO-2008120093-A1 SULFONAMIDES AND PHARMACEUTICAL COMPOSITIONS THEREOF PFIZER INC. (US) 2008-10-09 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-20100035865-A1 Sulfonamides and Pharmaceutical Compositions Thereof STS, SULT2A1, SULT1A1 MAPT 3002/4885PKM 1812/4885TACR1 1028/4885
US-20100029687-A1 PIPERIDINE DERIVATIVE OR SALT THEREOF CASR, CYP2R1, HCAR1 MAPT 4561/4885PKM 3074/4885TACR1 99/4885

“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.