SCHEMBL16785633

SCHEMBL16785633

O=C(Nc1cccnc1)N1CCCNc2ccc(N3CCCC(C(F)(F)F)C3)nc21

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 10/20 0.39
▸ HTR2A P28223 8/20 0.39
▸ NAMPT P43490 1/20 0.38
▸ TRPV3 Q8NET8 1/20 0.38
▸ TRPV1 Q8NER1 1/20 0.38
▸ BTK Q06187 1/20 0.37
▸ MAP4K4 O95819 1/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ HTR2B P41595 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ EIF2AK4 Q9P2K8 1/20 0.36

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
SCHEMBL16785543 0.98 HTR2C (0.39) HTR2CHTR2ANAMPTTRPV3TRPV1
SCHEMBL16785631 0.89 TRPV3 (0.39) NAMPTTRPV3BTKMAP4K4KMT2A
SCHEMBL16785570 0.89 TRPV3 (0.39) TRPV3MAP4K4KMT2AEIF2AK4
SCHEMBL16785645 0.87 TRPV3 (0.40) NAMPTTRPV3TRPV1MAP4K4MAPT
SCHEMBL16785539 0.87 TRPV3 (0.41) NAMPTTRPV3MAP4K4KMT2AEIF2AK4
SCHEMBL16785642 0.86 SCN10A (0.40) TRPV3MAP4K4KMT2AEIF2AK4
SCHEMBL16785571 0.86 TRPV3 (0.39) NAMPTTRPV3BTKMAP4K4KMT2A
SCHEMBL16785626 0.85 POLB (0.39) TRPV3MAP4K4KMT2AEIF2AK4
SCHEMBL16785647 0.84 RHOA (0.45) TRPV3KMT2A
SCHEMBL16785518 0.84 RHOA (0.45) TRPV3KMT2A

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-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 HTR2C 4651/4885HTR2A 4386/4885NAMPT 74/4885

“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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