SCHEMBL10165641

SCHEMBL10165641

C[C@@H](OC[C@H]1CO1)c1ccc(C#N)cc1Br

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TP53 P04637 3/20 0.32
TSHR P16473 3/20 0.32
ALDH1A1 P00352 3/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 2/20 0.32
HIF1A Q16665 2/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
KMT2A Q03164 1/20 0.32
PPARG P37231 1/20 0.32
CYP3A4 P08684 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ABCB1 P08183 1/20 0.32
GLA P06280 2/20 0.31
DRD4 P21917 1/20 0.30
SLC6A4 P31645 1/20 0.30
NR3C1 P04150 1/20 0.30
CYP11B2 P19099 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
SCHEMBL6796590 1.00 FFAR1 (0.33) FFAR1TDP1TP53TSHRALDH1A1
SCHEMBL2475856 0.82 ALDH1A1 (0.36) TDP1TP53TSHRALDH1A1MAPT
SCHEMBL10151075 0.82 ALDH1A1 (0.36) TDP1TP53TSHRALDH1A1MAPT
SCHEMBL17226978 0.81 PKM (0.41) TDP1TP53TSHRALDH1A1MAPT
SCHEMBL6741725 0.81 ALDH1A1 (0.33) TDP1TP53TSHRALDH1A1MAPT
SCHEMBL10165731 0.81 ALDH1A1 (0.33) TDP1TP53TSHRALDH1A1MAPT
SCHEMBL2503620 0.81 ALDH1A1 (0.35) TDP1TP53TSHRALDH1A1MAPT
SCHEMBL2477285 0.81 ALDH1A1 (0.35) TDP1TP53TSHRALDH1A1MAPT
SCHEMBL6796536 0.81 PKM (0.41) TDP1TP53TSHRALDH1A1MAPT
SCHEMBL10165711 0.78 CDK4 (0.30)

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
EP-2374794-B1 CYCLIC AMINE COMPOUNDS DAIICHI SANKYO CO LTD (JP) 2015-11-04 EP disclosed
US-8173631-B2 Cyclic amine compounds DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-05-08 US disclosed
US-20110319468-A1 CYCLIC AMINE COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-29 US disclosed
EP-2374788-A1 INDANYL COMPOUNDS Daiichi Sankyo Company, Limited (JP) 2011-10-12 EP 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-20110319468-A1 CYCLIC AMINE COMPOUNDS RYR2, CASR, RYR1 FFAR1 172/4885TDP1 3917/4885TP53 3433/4885

“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.