SCHEMBL2152169

SCHEMBL2152169

Cc1ccc(C(C)(C)CCO)o1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.39
HTR1A P08908 1/20 0.38
HTR7 P34969 1/20 0.38
HTR6 P50406 1/20 0.38
MEN1 O00255 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CYP2C9 P11712 1/20 0.31
CHRM3 P20309 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 2/20 0.31
LMNA P02545 1/20 0.31
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL2152164 0.77 TDP1 (0.43) TDP1HTR1AHTR7HTR6MEN1
SCHEMBL4397305 0.75 HPGD (0.35) TDP1HTR1AHTR7HTR6MEN1
SCHEMBL2735690 0.72 TDP1 (0.48) TDP1HTR1AHTR7HTR6MEN1
SCHEMBL420157 0.71 TDP1 (0.53) TDP1HTR1AHTR7HTR6MEN1
SCHEMBL19681462 0.71 TDP1 (0.53) TDP1HTR1AHTR7HTR6MEN1
SCHEMBL7949905 0.71 MAPT (0.39) TDP1HTR1AHTR7HTR6MEN1
SCHEMBL2151779 0.71 HTR1A (0.38) TDP1HTR1AHTR7HTR6MEN1
SCHEMBL20850253 0.69 TDP1 (0.40) TDP1HTR1AHTR7HTR6MEN1
SCHEMBL2152264 0.69 HTR1A (0.37) TDP1HTR1AHTR7HTR6KMT2A
SCHEMBL28895975 0.68 TDP1 (0.43) TDP1HTR1AHTR7HTR6MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2534132-B1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES HOFFMANN LA ROCHE (CH) 2017-04-26 EP disclosed
US-8354444-B2 Substituted pyrrolidine-2-carboxamides HOFFMANN-LA ROCHE INC. (US) 2013-01-15 US disclosed
EP-2534132-A1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES F. Hoffmann-La Roche AG (CH) 2012-12-19 EP disclosed
EP-2340021-B1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES HOFFMANN LA ROCHE (CH) 2012-11-07 EP disclosed
WO-2011098398-A1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2011-08-18 WO disclosed
EP-2340021-A1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES F. Hoffmann-La Roche AG (CH) 2011-07-06 EP disclosed
US-20100152190-A1 Substituted Pyrrolidine-2-Carboxamides F. HOFFMANN-LA ROCHE AG (CH) 2010-06-17 US disclosed
WO-2010031713-A1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2010-03-25 WO disclosed
US-20100075948-A1 Substituted Pyrrolidine-2-Carboxamides DING QINGJIE 2010-03-25 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 (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-20100152190-A1 Substituted Pyrrolidine-2-Carboxamides ARG2, CCNY, PYCR1 TDP1 1575/4885HTR1A 2745/4885HTR7 2412/4885
US-20100075948-A1 Substituted Pyrrolidine-2-Carboxamides ARG2, CCNY, PYCR1 TDP1 1575/4885HTR1A 2745/4885HTR7 2412/4885

“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.