SCHEMBL19699073

SCHEMBL19699073

CCN1CCCCN(C(=O)Nc2cncc(F)c2)c2nc(-c3cncc(C(F)(F)F)c3)ccc21

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 8/20 0.39
▸ HTR2A P28223 7/20 0.39
▸ HTR2B P41595 6/20 0.39
▸ SCN10A Q9Y5Y9 4/20 0.38
▸ CYP11B2 P19099 2/20 0.38
▸ TRPV3 Q8NET8 1/20 0.38
▸ AR P10275 1/20 0.36
▸ CYP1A2 P05177 3/20 0.36
▸ TNF P01375 1/20 0.36
▸ CYP3A4 P08684 1/20 0.35
▸ PORCN Q9H237 1/20 0.35
▸ WNT1 P04628 1/20 0.35
▸ DYRK1A Q13627 1/20 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
SCHEMBL19670524 0.90 CYP11B2 (0.39) HTR2CHTR2AHTR2BSCN10ACYP11B2
SCHEMBL19670692 0.85 BRAF (0.38) HTR2CHTR2AHTR2BTRPV3CYP1A2
SCHEMBL19670565 0.82 WNT3A (0.37) HTR2CHTR2AHTR2BCYP11B2CYP1A2
SCHEMBL19365749 0.78 CA2 (0.42) —
SCHEMBL19699072 0.77 DYRK1A (0.35) HTR2CHTR2AHTR2BCYP11B2TRPV3
SCHEMBL19699071 0.77 HTR2C (0.47) HTR2CHTR2AHTR2B
SCHEMBL19670640 0.77 HTR2C (0.51) HTR2CHTR2AHTR2BCYP1A2CYP3A4
SCHEMBL19670249 0.76 CA2 (0.42) HTR2CHTR2A
SCHEMBL19670453 0.76 HTR2C (0.36) HTR2CHTR2AHTR2BTRPV3CYP1A2
SCHEMBL17618636 0.75 SCN10A (0.39) HTR2CHTR2AHTR2BSCN10ATRPV3

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-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 (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-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 HTR2C 4651/4885HTR2A 4386/4885HTR2B 4224/4885

“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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