SCHEMBL16775822

SCHEMBL16775822

O=C(Nc1ccncc1F)N1CCCNc2ccc(-c3cccc(C(F)(F)F)c3)nc21

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 3/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ KMO O15229 1/20 0.37
▸ MGLL Q99685 1/20 0.36
▸ MC4R P32245 1/20 0.36
▸ KIT P10721 1/20 0.36
▸ CPT2 P23786 1/20 0.36
▸ CPT1A P50416 1/20 0.36
▸ CPT1B Q92523 1/20 0.36
▸ HTR2A P28223 2/20 0.35
▸ HTR2C P28335 2/20 0.35
▸ FYN P06241 1/20 0.35
▸ HDAC1 Q13547 2/20 0.35
▸ HDAC2 Q92769 2/20 0.35
▸ FGFR4 P22455 1/20 0.35
▸ ROCK2 O75116 3/20 0.35
▸ PIKFYVE Q9Y2I7 2/20 0.34

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
SCHEMBL16775848 0.98 CPT2 (0.37) TRPV1CA2CA9KMOMGLL
SCHEMBL16775901 0.91 TRPV1 (0.36) TRPV1CA2CA9KMOMGLL
SCHEMBL16775828 0.91 PIKFYVE (0.37) TRPV1CA2CA9KMOMGLL
SCHEMBL16775881 0.90 TRPV1 (0.43) TRPV1KMOROCK2
SCHEMBL16775840 0.89 PIKFYVE (0.37) TRPV1CA2CA9KMOMGLL
SCHEMBL16775830 0.88 CNR2 (0.37) TRPV1ROCK2
SCHEMBL16775945 0.87 PRKCI (0.39) TRPV1ROCK2
SCHEMBL16776157 0.87 ROCK2 (0.36) TRPV1CA9ROCK2
SCHEMBL16775824 0.87 HTR2A (0.50) CA2CA9KITHTR2AHTR2C
SCHEMBL16775818 0.86 ALOX15 (0.46) CA2CA9KMOMC4RKIT

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 TRPV1 3670/4885CA2 4253/4885CA9 4248/4885

“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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