SCHEMBL3074597

SCHEMBL3074597

O=C(Nc1ccc(C(F)(F)F)cc1)N1CCc2ccccc2C1

nearest known ligand 0.82

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 5/20 0.82
RAB9A P51151 12/20 0.74
NPC1 O15118 10/20 0.74
SMN1; SMN2 Q16637 4/20 0.72
TP53 P04637 1/20 0.72
KMT2A Q03164 4/20 0.70
MEN1 O00255 3/20 0.70
ALDH1A1 P00352 1/20 0.70
TAS1R3 Q7RTX0 1/20 0.70
TAS1R1 Q7RTX1 1/20 0.70
TAS1R2 Q8TE23 1/20 0.70
GAA P10253 1/20 0.70
MAPK1 P28482 1/20 0.67
ATM Q13315 1/20 0.65
MAPT P10636 1/20 0.65
TRPV1 Q8NER1 1/20 0.60

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
SCHEMBL3715768 0.90 NAMPT (1.00) NAMPTTAS1R3TAS1R1TAS1R2
SCHEMBL5527547 0.85 RAB9A (1.00) NAMPTRAB9ANPC1SMN1; SMN2TP53
SCHEMBL13717782 0.85 RAB9A (0.62) NAMPTRAB9ANPC1SMN1; SMN2TP53
SCHEMBL30515325 0.84 RAB9A (1.00) NAMPTRAB9ANPC1SMN1; SMN2TP53
SCHEMBL10226339 0.84 RAB9A (1.00) NAMPTRAB9ANPC1SMN1; SMN2TP53
SCHEMBL3698767 0.83 RAB9A (0.79) NAMPTRAB9ANPC1SMN1; SMN2TP53
SCHEMBL3699340 0.83 NAMPT (0.84) NAMPTRAB9ANPC1SMN1; SMN2TP53
SCHEMBL3700363 0.82 RAB9A (0.78) NAMPTRAB9ANPC1SMN1; SMN2TP53
SCHEMBL3708277 0.82 RAB9A (1.00) NAMPTRAB9ANPC1SMN1; SMN2TP53
SCHEMBL17559776 0.82 RAB9A (0.78) NAMPTRAB9ANPC1SMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2640704-A1 NAMPT INHIBITORS Abbvie Inc. (US) 2013-09-25 EP claimed
WO-2012067963-A1 NAMPT INHIBITORS ABBOTT LABORATORIES (US) 2012-05-24 WO claimed
US-20120122924-A1 NAMPT INHIBITORS ABBOTT LABORATORIES (US) 2012-05-17 US claimed
EP-2640704-A1 NAMPT INHIBITORS Abbvie Inc. (US) 2013-09-25 EP disclosed
US-8476297-B2 TRP-M8 receptor ligands and their use in treatments AMGEN INC. (US) 2013-07-02 US disclosed
WO-2012067963-A1 NAMPT INHIBITORS ABBOTT LABORATORIES (US) 2012-05-24 WO disclosed
US-20120122924-A1 NAMPT INHIBITORS ABBOTT LABORATORIES (US) 2012-05-17 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

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-20120122924-A1 NAMPT INHIBITORS NAMPT, NNMT, NAPRT NAMPT 1/4885RAB9A 2177/4885NPC1 88/4885
US-20100261728-A1 TRP-M8 RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS TRPV1, TRPM8, TRPV2 NAMPT 3073/4885RAB9A 1239/4885NPC1 3217/4885

“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.