SCHEMBL6741336

SCHEMBL6741336

C[C@@H](O)c1cc(F)c(Cl)cc1Br

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.40
CYP11B2 P19099 1/20 0.34
KDM1A O60341 2/20 0.32
KDM1B Q8NB78 2/20 0.32
KCNH2 Q12809 1/20 0.31
TSHR P16473 2/20 0.31
KDM4E B2RXH2 1/20 0.31
HTR2A P28223 3/20 0.30
HTR2C P28335 3/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
HTR2B P41595 1/20 0.30
ALPL P05186 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
SCHEMBL20686231 0.84 GABRA1 (0.34) CYP11B2KDM1AKDM1BHTR2AHTR2C
SCHEMBL6741548 0.84 PDE2A (0.32) PDE2A
SCHEMBL6745375 0.84 PDE2A (0.32) PDE2A
SCHEMBL14800299 0.82 PDE2A (0.47) PDE2ACYP11B2KCNH2TSHRKDM4E
SCHEMBL11467850 0.82 PDE2A (0.43) PDE2ACYP11B2KDM1AKDM1BKCNH2
SCHEMBL6742606 0.78 KDM1A (0.33) PDE2AKDM1AKDM1B
SCHEMBL17310220 0.74 PDE2A (0.38) PDE2ACYP11B2KCNH2ALPL
SCHEMBL23095908 0.74 PDE2A (0.35) PDE2AKDM1AKDM1BKCNH2CYP3A4
SCHEMBL29351107 0.73 PDE2A (0.40) PDE2ACYP11B2KDM1AKDM1BKCNH2
SCHEMBL24826176 0.70 MGAM (0.40) CYP1A2CYP3A4CYP2C9

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 14 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
EP-2374788-B1 INDANYL COMPOUNDS DAIICHI SANKYO CO LTD (JP) 2013-04-03 EP disclosed
US-8183272-B2 Indanyl compounds DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-05-22 US disclosed
US-8183272-B2 Indanyl compounds DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-05-22 US disclosed
US-8173631-B2 Cyclic amine compounds DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-05-08 US 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
US-20110319468-A1 CYCLIC AMINE COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-29 US disclosed
US-20110319359-A1 INDANYL COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-29 US disclosed
US-20110319359-A1 INDANYL 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
EP-2374788-A1 INDANYL COMPOUNDS Daiichi Sankyo Company, Limited (JP) 2011-10-12 EP disclosed
WO-2010074089-A1 INDANYL COMPOUNDS 第一三共株式会社 (JP) 2010-07-01 WO disclosed
WO-2010074088-A1 CYCLIC AMINE COMPOUNDS 第一三共株式会社 (JP) 2010-07-01 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-20110319468-A1 CYCLIC AMINE COMPOUNDS RYR2, CASR, RYR1 PDE2A 592/4885CYP11B2 1172/4885KDM1A 2842/4885
US-20110319359-A1 INDANYL COMPOUNDS RYR2, ORAI1, CASR PDE2A 1568/4885CYP11B2 637/4885KDM1A 4378/4885

“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.