SCHEMBL4422916

SCHEMBL4422916

O=C(O)C1CCN(c2cccc(C(F)(F)F)n2)CC1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.55
DPP4 P27487 1/20 0.54
DPP9 Q86TI2 1/20 0.54
DPP7 Q9UHL4 1/20 0.54
IDH2 P48735 1/20 0.49
NOTUM Q6P988 3/20 0.49
GRIN2B Q13224 1/20 0.49
DRD2 P14416 2/20 0.48
DRD3 P35462 2/20 0.48
OPRM1 P35372 1/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
FFAR1 O14842 1/20 0.48
ACACB O00763 4/20 0.48
LCAT P04180 2/20 0.47
HTR1A P08908 1/20 0.47
KDM4E B2RXH2 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL31381344 0.88 KDM4E (0.57) HRH3DPP4DPP9DPP7GRIN2B
SCHEMBL31381206 0.86 GRIN2B (0.57) HRH3DPP4DPP9DPP7NOTUM
SCHEMBL16648678 0.84 HRH3 (0.56) HRH3DRD2DRD3LMNAACACB
SCHEMBL18544728 0.84 HRH3 (0.53) HRH3DPP4DPP9DPP7NOTUM
SCHEMBL5219893 0.83 DRD2 (0.56) HRH3DPP4DPP9DPP7GRIN2B
SCHEMBL30582911 0.82 HRH3 (0.52) HRH3DPP4DPP9DPP7GRIN2B
SCHEMBL3938154 0.82 HRH3 (0.51) HRH3DPP4DPP9DPP7GRIN2B
SCHEMBL15291858 0.81 HRH3 (0.51) HRH3DPP4DPP9DPP7DRD2
SCHEMBL31497620 0.81 HRH3 (0.53) HRH3DRD2DRD3FFAR1ACACB
SCHEMBL4603963 0.80 HRH3 (0.50) HRH3DPP4DPP9DPP7GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119497709-A Pyrimidine derivatives ASKA 制药株式会社 2025-02-21 CN disclosed
EP-1781286-A4 MITOTIC KINESIN INHIBITORS MERCK & CO INC (US) 2009-06-10 EP disclosed
US-7538121-B2 Vanilloid receptor modulators GLAXO GROUP LIMITED (GB) 2009-05-26 US disclosed
EP-2033953-A1 Vanilloid receptor modulators Glaxo Group Limited (GB) 2009-03-11 EP disclosed
EP-1781286-A2 MITOTIC KINESIN INHIBITORS Merck & Co., Inc. (US) 2007-05-09 EP disclosed
US-20060142333-A1 Vanilloid receptor modulators MACDONALD GREGOR J 2006-06-29 US disclosed
WO-2006031348-A2 MITOTIC KINESIN INHIBITORS MERCK & CO., INC. (US) 2006-03-23 WO disclosed
EP-1480954-A1 VANILLOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2004-12-01 EP disclosed
EP-1425284-A2 FURO- AND THIENOPYRIMIDINE DERIVATIVES AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-06-09 EP disclosed
WO-2003068749-A1 VANILLOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2003-08-21 WO disclosed
WO-2003022852-A2 FURO-AND THIENOPYRIMIDINE DERIVATIVES AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-03-20 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 (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-20060142333-A1 Vanilloid receptor modulators TRPV1, NPSR1, TRPV3 HRH3 211/4885DPP4 3580/4885DPP9 3336/4885

“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.