SCHEMBL16776498

SCHEMBL16776498

CC1CCN2C[C@H]1N(C(=O)Nc1cccnc1)c1nc(N3CCCC(C(F)(F)F)C3)ccc12

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ TRPV1 Q8NER1 1/20 0.40
▸ TRPV3 Q8NET8 1/20 0.38
▸ HTR2C P28335 7/20 0.37
▸ HTR2A P28223 6/20 0.37
▸ CACNA1G O43497 3/20 0.37
▸ CACNA1H O95180 3/20 0.37
▸ CACNA1I Q9P0X4 3/20 0.37
▸ MAP4K4 O95819 1/20 0.37
▸ NAMPT P43490 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ PIM2 Q9P1W9 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
SCHEMBL17624589 0.89 TRPV1 (0.40) ALDH1A1MAPTTRPV1TRPV3HTR2C
SCHEMBL16754618 0.88 TRPV1 (0.41) ALDH1A1MAPTTRPV1TRPV3HTR2C
SCHEMBL19365684 0.88 TRPV1 (0.41) ALDH1A1MAPTTRPV1TRPV3HTR2C
SCHEMBL19670296 0.88 TRPV1 (0.41) ALDH1A1MAPTTRPV1TRPV3HTR2C
SCHEMBL16754312 0.88 TRPV1 (0.41) ALDH1A1MAPTTRPV1TRPV3HTR2C
SCHEMBL16776504 0.88 MAP4K4 (0.39) TRPV3MAP4K4PIM2
SCHEMBL17624532 0.84 TRPV1 (0.40) ALDH1A1MAPTTRPV1TRPV3HTR2C
SCHEMBL19669729 0.84 TRPV1 (0.40) ALDH1A1MAPTTRPV1TRPV3HTR2C
SCHEMBL19365685 0.83 NAMPT (0.38) TRPV1TRPV3HTR2CHTR2AMAP4K4
SCHEMBL16238392 0.81 TRPV1 (0.42) MAPTTRPV1HTR2CHTR2ANAMPT

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-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — 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 ALDH1A1 1726/4885MAPT 267/4885TRPV1 3670/4885

“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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