SCHEMBL16785648

SCHEMBL16785648

O=C(Nc1cccc(CC2CCNCC2)c1)N1CCCNc2ccc(-c3cccc(C(F)(F)F)c3)nc21

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ EPHB4 P54760 1/20 0.44
▸ ACP1 P24666 4/20 0.41
▸ FAAH O00519 3/20 0.41
▸ DCUN1D1 Q96GG9 1/20 0.40
▸ GAA P10253 1/20 0.39
▸ F10 P00742 1/20 0.38
▸ ERN1 O75460 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CCR2 P41597 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ KDM1A O60341 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA9 Q16790 1/20 0.37

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
SCHEMBL16776322 0.88 NPC1 (0.44) GAASMN1; SMN2MEN1KMT2ACA2
SCHEMBL16776432 0.86 CA2 (0.40) EPHB4FAAHGAASMN1; SMN2MEN1
SCHEMBL16776315 0.85 MCHR1 (0.41) EPHB4SMN1; SMN2MEN1POLBKMT2A
SCHEMBL16776329 0.84 FYN (0.42) FAAHGAASMN1; SMN2POLBCA2
SCHEMBL16776332 0.84 CNR2 (0.51) FAAHDCUN1D1MEN1KMT2A
SCHEMBL16776367 0.83 NPC1 (0.44) MEN1KMT2ACA2CA9
SCHEMBL16776321 0.82 FYN (0.44) SMN1; SMN2MEN1KMT2ACA2CA9
SCHEMBL16776165 0.82 CA2 (0.43) FAAHGAASMN1; SMN2KMT2ACA2
SCHEMBL16776363 0.82 CYP1A2 (0.49) MEN1KMT2ACA2CA9
SCHEMBL16775824 0.82 HTR2A (0.50) FAAHMEN1KMT2ACA2CA9

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 1 patent. 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

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 EPHB4 4864/4885ACP1 3472/4885FAAH 977/4885

“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