SCHEMBL3075271

SCHEMBL3075271

O=C(NCCc1cccc(F)c1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SNCA P37840 1/20 0.60
NPC1 O15118 3/20 0.59
RAB9A P51151 3/20 0.59
NAMPT P43490 2/20 0.57
MLYCD O95822 3/20 0.56
TRPV1 Q8NER1 2/20 0.55
LMNA P02545 1/20 0.52
TMEM97 Q5BJF2 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50

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
SCHEMBL97039 0.85 NPC1 (0.61) SNCANPC1RAB9ANAMPTMLYCD
SCHEMBL3062674 0.84 MLYCD (0.76) NPC1RAB9ANAMPTMLYCDTMEM97
SCHEMBL4921613 0.83 CNR1 (0.73) NAMPT
SCHEMBL16712957 0.83 ROCK1 (0.63) SNCANPC1RAB9ANAMPTHDAC2
SCHEMBL3062428 0.83 NPC1 (0.70) NPC1RAB9ANAMPTMLYCDLMNA
SCHEMBL3028529 0.83 HDAC6 (0.63) SNCANPC1RAB9ANAMPTLMNA
SCHEMBL3233030 0.82 NAMPT (0.64) NPC1RAB9ANAMPTMLYCDHDAC2
SCHEMBL3386390 0.80 NAMPT (0.59) SNCANPC1RAB9ANAMPTMLYCD
SCHEMBL3033993 0.79 HDAC6 (0.61) SNCANPC1RAB9ANAMPTLMNA
SCHEMBL5969299 0.79 ESRRG (0.73) NPC1RAB9ANAMPTMLYCDHDAC2

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 SNCA 2447/4885NPC1 3217/4885RAB9A 1239/4885

“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.