SCHEMBL10132723

SCHEMBL10132723

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

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
GLA P06280 1/20 0.33
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HIF1A Q16665 1/20 0.31

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
SCHEMBL6742996 1.00 ALDH1A1 (0.33) ALDH1A1GLAHTR2AHTR2CHTR2B
SCHEMBL6741986 0.90 ALDH1A1 (0.34) ALDH1A1GLAHTR2AHTR2CHTR2B
SCHEMBL10132755 0.86 DRD4 (0.32) ALDH1A1TP53CYP3A4TSHRSMN1; SMN2
SCHEMBL6743062 0.86 DRD4 (0.32) ALDH1A1TP53CYP3A4TSHRSMN1; SMN2
SCHEMBL6742283 0.83 ALDH1A1 (0.38) ALDH1A1GLAMAPTHPGDTDP1
SCHEMBL2475856 0.81 ALDH1A1 (0.36) ALDH1A1GLAHTR2AHTR2CHTR2B
SCHEMBL10151075 0.81 ALDH1A1 (0.36) ALDH1A1GLAHTR2AHTR2CHTR2B
SCHEMBL6742568 0.79 DRD4 (0.32) ALDH1A1TP53CYP3A4TSHRSMN1; SMN2
SCHEMBL10132708 0.79 ALDH1A1 (0.32) ALDH1A1GLATP53CYP3A4TSHR
SCHEMBL6742908 0.79 ALDH1A1 (0.32) ALDH1A1GLATP53CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-2374794-A1 CYCLIC AMINE 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 ALDH1A1 2584/4885GLA 3204/4885HTR2A 163/4885

“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.