SCHEMBL19865058

SCHEMBL19865058

C[C@@H]1CCN(C)c2ccc(Cl)nc2N1C(=O)Nc1ccc(F)cn1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 9/20 0.39
▸ FGFR4 P22455 1/20 0.38
▸ HTR1F P30939 1/20 0.36
▸ FFAR2 O15552 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ BRD4 O60885 1/20 0.35
▸ AHR P35869 1/20 0.35
▸ DEGS1 O15121 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
SCHEMBL19364893 0.84 CYP1A2 (0.39) GRM5FGFR4
SCHEMBL19365370 0.84 PTGS1 (0.41) GRM5FGFR4HTT
SCHEMBL19365284 0.84 BRD4 (0.40) GRM5BRD4DEGS1
SCHEMBL19365313 0.83 KMT2A (0.37) FFAR2KDM4E
SCHEMBL19365662 0.82 HTR1F (0.36) HTR1FKDM4EALDH1A1HTT
SCHEMBL19365654 0.82 HCRTR1 (0.44) GRM5BRD4
SCHEMBL19670585 0.80 FGFR4 (0.34) GRM5FGFR4HTR1FBRD4
SCHEMBL19670246 0.80 SCN9A (0.39) FGFR4
SCHEMBL16238462 0.80 DEGS1 (0.39) GRM5FGFR4FFAR2AHRDEGS1
SCHEMBL19670420 0.79 HDAC2 (0.42) FGFR4KDM4EALDH1A1HTTBRD4

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-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2018-02-15 — — 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-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 GRM5 4062/4885FGFR4 2275/4885HTR1F 4411/4885

“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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