SCHEMBL3063291

SCHEMBL3063291

COc1cccc2c1CCN=C2c1ccc(C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
RAB9A P51151 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MAPK10 P53779 8/20 0.44
GRM5 P41594 1/20 0.44
GRM1 Q13255 1/20 0.44
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
TNKS O95271 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
JAK2 O60674 1/20 0.39
JAK3 P52333 1/20 0.39
ACHE P22303 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
MAPK9 P45984 1/20 0.39

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
SCHEMBL3070384 0.81 NISCH (0.38) NPSR1ALDH1A1
SCHEMBL3056436 0.80 ENPP1 (0.37) NPSR1ALDH1A1
SCHEMBL3056563 0.74 NOS3 (0.45) NPSR1MAPK10ALDH1A1LMNACA1
SCHEMBL10426779 0.72 MAPK10 (0.48) MAPK10ALDH1A1LMNAMAPK9MAPK14
SCHEMBL30878582 0.71 HTR2C (0.55) ALDH1A1LMNAACHECYP19A1
SCHEMBL1011242 0.71 HTR2C (0.55) ALDH1A1LMNAACHECYP19A1
SCHEMBL5295496 0.71 TRPV1 (0.55) SMN1; SMN2RAB9ANPSR1JAK2JAK3
SCHEMBL29786814 0.71 TRPV1 (0.55) SMN1; SMN2RAB9ANPSR1JAK2JAK3
SCHEMBL11251733 0.70 ALDH1A1 (0.53) MAPK10ALDH1A1LMNACA1CA2
SCHEMBL10426004 0.70 MAPK10 (0.44) SMN1; SMN2NPSR1MAPK10LMNAMAPK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8476297-B2 TRP-M8 receptor ligands and their use in treatments AMGEN INC. (US) 2013-07-02 US disclosed
US-8476297-B2 TRP-M8 receptor ligands and their use in treatments AMGEN INC. (US) 2013-07-02 US disclosed
US-8476297-B2 TRP-M8 receptor ligands and their use in treatments AMGEN INC. (US) 2013-07-02 US disclosed
US-20100261728-A1 TRP-M8 RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2010-10-14 US disclosed
US-20100261728-A1 TRP-M8 RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2010-10-14 US disclosed
US-20100261728-A1 TRP-M8 RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2010-10-14 US disclosed
WO-2009073203-A1 TRP-M8 RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2009-06-11 WO disclosed
WO-2009073203-A1 TRP-M8 RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2009-06-11 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-20100261728-A1 TRP-M8 RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS TRPV1, TRPM8, TRPV2 SMN1; SMN2 3269/4885RAB9A 1239/4885NPSR1 283/4885

“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.