SCHEMBL2481758

SCHEMBL2481758

C[C@@H](O)c1ccc(C(F)(F)F)cc1Br

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 8/20 0.64
▸ LIPG Q9Y5X9 1/20 0.39
▸ SCN10A Q9Y5Y9 1/20 0.36
▸ HTR2A P28223 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ HTR2B P41595 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ CES2 O00748 2/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ PNMT P11086 1/20 0.34
▸ TAS2R14 Q9NYV8 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HTT P42858 1/20 0.34

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
SCHEMBL27850851 1.00 PDE2A (0.64) PDE2ALIPGSCN10AHTR2AHTR2C
SCHEMBL150245 0.85 PDE2A (0.59) PDE2ALIPGSCN10AHTR2AHTR2C
SCHEMBL31064629 0.85 PDE2A (0.59) PDE2ALIPGSCN10AHTR2AHTR2C
SCHEMBL6794936 0.85 PDE2A (0.59) PDE2ALIPGSCN10AHTR2AHTR2C
SCHEMBL31040742 0.85 PDE2A (0.59) PDE2ALIPGSCN10AHTR2AHTR2C
SCHEMBL8389283 0.85 PDE2A (0.49) PDE2AHTR2AHTR2CHTR2BNPSR1
SCHEMBL27877627 0.83 PDE2A (0.47) PDE2AHTR2AHTR2CHTR2BNPSR1
SCHEMBL31704883 0.81 PDE2A (0.46) PDE2ASCN10AHTR2AHTR2CHTR2B
SCHEMBL31706720 0.81 PDE2A (0.46) PDE2ASCN10AHTR2AHTR2CHTR2B
SCHEMBL30481795 0.81 PDE2A (0.68) PDE2ALIPGSCN10AHTR2AHTR2C

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 15 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-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
CN-102307847-A Indanyl compounds DAIICHI SANKYO CO LTD 2012-01-04 — — CN disclosed
CN-102307852-A Cyclic amine compounds DAIICHI SANKYO CO LTD 2012-01-04 — — CN 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

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 592/4885LIPG 2472/4885SCN10A 378/4885
US-20110319359-A1 INDANYL COMPOUNDS RYR2, ORAI1, CASR PDE2A 1568/4885LIPG 3135/4885SCN10A 365/4885

“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.

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