SCHEMBL19670295

SCHEMBL19670295

CN1CCCN(C(=O)Nc2ccncc2F)c2nc(-c3cccc(C(F)(F)F)c3)ccc21

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 7/20 0.39
▸ HTR2A P28223 6/20 0.39
▸ HTR2B P41595 3/20 0.37
▸ NPY5R Q15761 1/20 0.37
▸ HDAC1 Q13547 2/20 0.36
▸ HDAC2 Q92769 2/20 0.36
▸ TRPV1 Q8NER1 2/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ KMO O15229 1/20 0.36
▸ DHODH Q02127 1/20 0.35
▸ MC4R P32245 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ SRPK2 P78362 1/20 0.35
▸ SRPK1 Q96SB4 1/20 0.35
▸ SRPK3 Q9UPE1 1/20 0.35
▸ FYN P06241 1/20 0.35
▸ FGFR4 P22455 1/20 0.35

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
SCHEMBL20633013 0.90 HTR2C (0.38) HTR2CHTR2AHTR2BTRPV1CA9
SCHEMBL12654664 0.85 FGFR4 (0.42) HTR2CHTR2AHTR2BHDAC1HDAC2
SCHEMBL20632940 0.85 TEK (0.33) —
SCHEMBL16775822 0.85 TRPV1 (0.37) HTR2CHTR2AHDAC1HDAC2TRPV1
SCHEMBL12654524 0.85 FGFR4 (0.40) HTR2CHTR2AHTR2BNPY5RHDAC1
SCHEMBL12653836 0.84 HTR2C (0.47) HTR2CHTR2AHTR2BHDAC1HDAC2
SCHEMBL16775848 0.84 CPT2 (0.37) HTR2CHTR2AHDAC1HDAC2TRPV1
SCHEMBL20633137 0.83 GRIN1 (0.34) TRPV1
SCHEMBL19365693 0.83 TRPV1 (0.34) TRPV1
SCHEMBL17655387 0.83 KDM1A (0.38) HTR2CHTR2AHTR2BNPY5RHDAC1

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-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2018-02-15 — — US disclosed
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — 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-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 HTR2C 4649/4885HTR2A 4359/4885HTR2B 4076/4885

“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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