SCHEMBL17169484

SCHEMBL17169484

CC(C)NC(=O)N1Cc2ccccc2C1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.55
NAMPT P43490 14/20 0.54
TAS1R3 Q7RTX0 3/20 0.54
TAS1R1 Q7RTX1 3/20 0.54
TAS1R2 Q8TE23 3/20 0.54
NPC1 O15118 1/20 0.51
MAPT P10636 1/20 0.51
RAB9A P51151 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
KCNH2 Q12809 1/20 0.50
HRH3 Q9Y5N1 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
SCHEMBL4760903 0.90 RAB9A (0.64) NOTUMTAS1R3TAS1R1TAS1R2NPC1
SCHEMBL11401928 0.82 DPP8 (0.53) NAMPTTAS1R3TAS1R1TAS1R2NPC1
SCHEMBL22664279 0.80 NAMPT (0.55) NAMPT
SCHEMBL20612064 0.80 DPP8 (0.54) NAMPTTAS1R3TAS1R1TAS1R2NPC1
SCHEMBL11317727 0.80 MAPT (0.48) NAMPTNPC1MAPTRAB9AKMT2A
SCHEMBL13884527 0.79 NOTUM (0.58) NOTUMTAS1R3TAS1R1TAS1R2NPC1
SCHEMBL7602212 0.79 NOTUM (0.61) NOTUMNAMPTTAS1R3TAS1R1TAS1R2
SCHEMBL13884531 0.77 USP2 (0.57) NOTUMNPC1MAPTRAB9AKMT2A
SCHEMBL18205171 0.75 DPP8 (0.53) NOTUMNAMPTTAS1R3TAS1R1TAS1R2
SCHEMBL22332044 0.75 RAB9A (0.55) NOTUMTAS1R3TAS1R1TAS1R2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9611271-B2 C20′ urea derivatives of vinca alkaloids SCRIPPS RESEARCH INSTITUTE (US) 2017-04-04 US disclosed
US-9611271-B2 C20′ urea derivatives of vinca alkaloids SCRIPPS RESEARCH INSTITUTE (US) 2017-04-04 US disclosed
US-20150291610-A1 C20' Urea Derivatives of Vinca Alkaloids NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-10-15 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 (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-20150291610-A1 C20' Urea Derivatives of Vinca Alkaloids UTP18, SNRPA1, SNRPA NOTUM 2370/4885NAMPT 925/4885TAS1R3 3113/4885

“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.