SCHEMBL16776155

SCHEMBL16776155

Cn1nccc1-c1ccc2c(n1)N(C(=O)Nc1cnccn1)CCCN2

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 1/20 0.37
▸ PORCN Q9H237 3/20 0.36
▸ CYP2D6 P10635 2/20 0.36
▸ FGFR4 P22455 4/20 0.35
▸ CYP11B2 P19099 2/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ FAAH O00519 2/20 0.33
▸ MAP4K1 Q92918 1/20 0.33
▸ RPS6KA2 Q15349 1/20 0.33
▸ RPS6KA3 P51812 1/20 0.33
▸ CYP11B1 P15538 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ POLB P06746 1/20 0.32

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
SCHEMBL16776252 0.85 CYP2D6 (0.44) PORCNCYP2D6NPC1RAB9ARPS6KA3
SCHEMBL20631618 0.84 ABL1 (0.36) ABL1PORCNCYP2D6FGFR4CYP11B2
SCHEMBL16776107 0.83 RAB9A (0.37) FGFR4CYP11B2NPC1RAB9AFAAH
SCHEMBL16776059 0.82 CYP11B2 (0.37) FGFR4CYP11B2NPC1RAB9AFAAH
SCHEMBL19670344 0.81 FGFR4 (0.35) ABL1PORCNCYP2D6FGFR4CYP11B2
SCHEMBL16776151 0.81 BRD4 (0.36) FGFR4NPC1RAB9AFAAH
SCHEMBL16776016 0.81 WNT3A (0.40) ABL1PORCNCYP11B2
SCHEMBL16776133 0.81 FAAH (0.38) FGFR4FAAH
SCHEMBL16776186 0.80 CYP11B2 (0.41) ABL1FGFR4CYP11B2FAAH
SCHEMBL16776136 0.80 FAAH (0.41) CYP2D6FGFR4FAAHRPS6KA2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — US disclosed
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — 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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 ABL1 4089/4885PORCN 3797/4885CYP2D6 4121/4885

“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.

Send feedback