SCHEMBL19699044

SCHEMBL19699044

CC(F)(F)c1cccc(-c2ccc3c(n2)N(C(=O)Nc2ccccn2)[C@@H]2CN3CC2O)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.37
▸ TRPV1 Q8NER1 1/20 0.36
▸ SCN9A Q15858 4/20 0.36
▸ SLC5A1 P13866 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ PHGDH O43175 1/20 0.33
▸ SCN5A Q14524 1/20 0.33
▸ AR P10275 1/20 0.33
▸ TRPM8 Q7Z2W7 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ NFKB2 Q00653 1/20 0.33
▸ RELA Q04206 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ FAAH O00519 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33

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
SCHEMBL19361167 0.94 PHGDH (0.40) CNR2TRPV1SCN9ACYP1A2HTR2A
SCHEMBL20632458 0.94 PHGDH (0.40) CNR2TRPV1SCN9ACYP1A2HTR2A
SCHEMBL16238388 0.94 PHGDH (0.40) CNR2TRPV1SCN9ACYP1A2HTR2A
SCHEMBL16238547 0.94 PHGDH (0.40) CNR2TRPV1SCN9ACYP1A2HTR2A
Trifluoroacetic Acid SCHEMBL16237584 0.91 KMO (0.38) CNR2TRPV1SCN9APHGDHSCN5A
SCHEMBL16249977 0.88 CNR2 (0.51) CNR2FAAHALDH1A1SIRT2KMO
SCHEMBL17618839 0.86 TRPV1 (0.38) TRPV1PHGDHARTRPM8GRIN2B
SCHEMBL17618818 0.84 MPL (0.43) SCN9ASCN5AARFAAHALDH1A1
SCHEMBL17618802 0.84 ALOX15 (0.44) SCN9AFAAHSIRT2KMO
SCHEMBL16775774 0.84 BRAF (0.35) GRIN1GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2020-03-17 — — US disclosed
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — US disclosed
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — 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 (2 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-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CNR2 2514/4885TRPV1 3670/4885SCN9A 3897/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 CNR2 2514/4885TRPV1 3670/4885SCN9A 3897/4885

“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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