SCHEMBL3710054

SCHEMBL3710054

O=C(Nc1ccc2c(c1)CNC2)N1Cc2ccccc2C1

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 17/20 0.65
▸ TAS1R3 Q7RTX0 3/20 0.58
▸ TAS1R1 Q7RTX1 3/20 0.58
▸ TAS1R2 Q8TE23 3/20 0.58
▸ NPC1 O15118 1/20 0.52
▸ RAB9A P51151 1/20 0.52

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
SCHEMBL3710053 0.79 ITGB3 (0.45) —
SCHEMBL3709158 0.79 NAMPT (1.00) NAMPTTAS1R3TAS1R1TAS1R2
SCHEMBL3709766 0.78 NAMPT (1.00) NAMPTTAS1R3TAS1R1TAS1R2NPC1
SCHEMBL10226370 0.76 NPC1 (0.78) NAMPTTAS1R3TAS1R1TAS1R2NPC1
SCHEMBL3705749 0.76 NAMPT (1.00) NAMPTTAS1R3TAS1R1TAS1R2
SCHEMBL3708318 0.75 NAMPT (0.68) NAMPTTAS1R3TAS1R1TAS1R2
SCHEMBL12501320 0.75 ITGB3 (0.58) —
SCHEMBL531914 0.75 NPC1 (0.66) NPC1RAB9A
SCHEMBL701870 0.74 TAS1R3 (1.00) NAMPTTAS1R3TAS1R1TAS1R2
SCHEMBL3709542 0.74 NAMPT (0.71) NAMPTTAS1R3TAS1R1TAS1R2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10093624-B2 NAMPT and ROCK inhibitors ABBVIE INC. (US) 2018-10-09 — — US disclosed
US-9302989-B2 NAMPT and rock inhibitors ABBVIE INC. (US) 2016-04-05 — — US disclosed
US-20160031880-A1 Nampt and Rock Inhibitors ABBVIE INC. (US) 2016-02-04 — — US disclosed
EP-2640698-A1 NAMPT AND ROCK INHIBITORS AbbVie Inc. (US) 2013-09-25 — — EP disclosed
WO-2012067965-A1 NAMPT AND ROCK INHIBITORS ABBOTT LABORATORIES (US) 2012-05-24 — — WO disclosed
US-20120122842-A1 NAMPT AND ROCK INHIBITORS ABBOTT LABORATORIES (US) 2012-05-17 — — 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 (3 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-10093624-B2 NAMPT and ROCK inhibitors NAMPT, NNMT, NADK NAMPT 1/4885TAS1R3 3988/4885TAS1R1 4181/4885
US-20120122842-A1 NAMPT AND ROCK INHIBITORS NAMPT, NNMT, NME2 NAMPT 1/4885TAS1R3 4597/4885TAS1R1 4638/4885
US-20160031880-A1 Nampt and Rock Inhibitors NAMPT, NNMT, NME2 NAMPT 1/4885TAS1R3 4597/4885TAS1R1 4638/4885

“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.

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