SCHEMBL15725264

SCHEMBL15725264

CCc1cccc(N2CC(F)(F)C2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 13/20 0.38
▸ TRPV3 Q8NET8 2/20 0.38
▸ ACACB O00763 1/20 0.38
▸ HTR3E A5X5Y0 2/20 0.33
▸ HTR3B O95264 2/20 0.33
▸ HTR3A P46098 2/20 0.33
▸ HTR3D Q70Z44 2/20 0.33
▸ HTR3C Q8WXA8 2/20 0.33
▸ GRIN2D O15399 1/20 0.33
▸ GRIN3B O60391 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ ADRA1D P25100 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ ADRA1B P35368 1/20 0.33
▸ GRIN1 Q05586 1/20 0.33
▸ GRIN2A Q12879 1/20 0.33
▸ GRIN2B Q13224 1/20 0.33
▸ GRIN2C Q14957 1/20 0.33
▸ GRIN3A Q8TCU5 1/20 0.33
▸ TGFBR1 P36897 1/20 0.33

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
SCHEMBL29101024 0.83 HRH3 (0.42) PDE10ATRPV3GRIN2DGRIN3BCHRM1
SCHEMBL23830210 0.83 ALDH1A1 (0.40) PDE10ATRPV3ACACBHTR3EHTR3B
SCHEMBL17115637 0.80 AOC3 (0.38) PDE10ATRPV3ACACB
SCHEMBL29100998 0.79 KDM4E (0.35) PDE10ATRPV3
SCHEMBL23114463 0.78 PIM1 (0.39) PDE10ATRPV3ACACBHTR3EHTR3B
SCHEMBL13362485 0.77 PDE10A (0.55) PDE10ATRPV3HTR3EHTR3BHTR3A
SCHEMBL14818715 0.77 PDE10A (0.59) PDE10ATRPV3
SCHEMBL24817010 0.77 GRIN2D (0.49) PDE10AHTR3EHTR3BHTR3AHTR3D
SCHEMBL20909913 0.77 HTR3E (0.56) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL29995512 0.77 KIF18A (0.34) PDE10ATRPV3

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-20150291576-A1 COMPOUNDS AND THEIR METHODS OF USE SERVIER PHARMACEUTICALS LLC 2015-10-15 — — US disclosed
US-9029531-B2 Compounds and their methods of use AGIOS PHARMACEUTICALS, INC. (US) 2015-05-12 — — US disclosed
US-20140142081-A1 COMPOUNDS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2014-05-22 — — 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-20150291576-A1 COMPOUNDS AND THEIR METHODS OF USE GLS, GLS2, GLUL PDE10A 2619/4885TRPV3 4736/4885ACACB 169/4885
US-20140142081-A1 COMPOUNDS AND THEIR METHODS OF USE GLS, GLS2, GLUL PDE10A 3612/4885TRPV3 4774/4885ACACB 86/4885

“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.

Send feedback