SCHEMBL17618339

SCHEMBL17618339

CN(C)[C@H]1CCN(c2ccc3c(n2)N(C(=O)Nc2cccnc2)C2CCN3CC2)C1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 10/20 0.41
▸ TRPV1 Q8NER1 1/20 0.40
▸ HTR2A P28223 8/20 0.39
▸ MCHR1 Q99705 2/20 0.39
▸ MAP4K4 O95819 1/20 0.38
▸ HRH4 Q9H3N8 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.38
▸ EGFR P00533 1/20 0.37
▸ ATR Q13535 1/20 0.37

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
SCHEMBL16238365 0.96 HTR2C (0.41) HTR2CTRPV1HTR2AMCHR1MAP4K4
SCHEMBL16754613 0.96 HTR2C (0.41) HTR2CTRPV1HTR2AMCHR1MAP4K4
Hydrochloric Acid SCHEMBL16238891 0.95 HTR2C (0.40) HTR2CTRPV1HTR2AMCHR1MAP4K4
Hydrochloric Acid SCHEMBL16238890 0.95 HTR2C (0.40) HTR2CTRPV1HTR2AMCHR1MAP4K4
SCHEMBL19706148 0.86 NPC1 (0.39) HTR2CTRPV1HTR2AMCHR1HRH4
SCHEMBL20632429 0.85 MAP4K4 (0.38) HTR2CMCHR1MAP4K4HRH4HRH3
SCHEMBL16776029 0.83 RPS6KA3 (0.39) HTR2CTRPV1HTR2AMCHR1HRH4
SCHEMBL17618523 0.83 MCHR1 (0.38) MCHR1MAP4K4HRH4HRH3
SCHEMBL19670269 0.83 MCHR1 (0.38) HTR2CTRPV1HTR2AMCHR1MAP4K4
SCHEMBL17618524 0.82 LCK (0.39) MCHR1MAP4K4HRH4HRH3

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-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2018-02-15 — — US disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
US-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-03-24 — — 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-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 HTR2C 4649/4885TRPV1 4249/4885HTR2A 4359/4885
US-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 HTR2C 4649/4885TRPV1 4249/4885HTR2A 4359/4885

“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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