SCHEMBL16776029

SCHEMBL16776029

C[C@@H]1CCNc2ccc(N3CC[C@H](N(C)C)C3)nc2N1C(=O)Nc1cccnc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RPS6KA3 P51812 2/20 0.39
▸ RPS6KA2 Q15349 1/20 0.39
▸ MCHR1 Q99705 2/20 0.37
▸ ACACB O00763 1/20 0.37
▸ TRPV1 Q8NER1 1/20 0.36
▸ HRH4 Q9H3N8 2/20 0.36
▸ HRH3 Q9Y5N1 2/20 0.36
▸ HTR2C P28335 2/20 0.35
▸ CACNA1G O43497 2/20 0.35
▸ CACNA1H O95180 2/20 0.35
▸ CACNA1I Q9P0X4 2/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ NAPEPLD Q6IQ20 1/20 0.35
▸ PDE10A Q9Y233 2/20 0.35
▸ P2RX7 Q99572 3/20 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
SCHEMBL16776030 0.89 PRMT5 (0.37) MCHR1TRPV1HRH4HRH3NAPEPLD
SCHEMBL16776036 0.87 HRH4 (0.37) MCHR1HRH4HRH3NAPEPLDPDE10A
SCHEMBL19706148 0.85 NPC1 (0.39) MCHR1ACACBTRPV1HRH4HRH3
SCHEMBL17618339 0.83 HTR2C (0.41) MCHR1TRPV1HRH4HRH3HTR2C
SCHEMBL16238365 0.81 HTR2C (0.41) MCHR1TRPV1HRH4HRH3HTR2C
SCHEMBL16754613 0.81 HTR2C (0.41) MCHR1TRPV1HRH4HRH3HTR2C
Hydrochloric Acid SCHEMBL16238890 0.80 HTR2C (0.40) MCHR1TRPV1HRH4HRH3HTR2C
Hydrochloric Acid SCHEMBL16238891 0.80 HTR2C (0.40) MCHR1TRPV1HRH4HRH3HTR2C
SCHEMBL19670269 0.80 MCHR1 (0.38) MCHR1ACACBTRPV1HRH4HRH3
SCHEMBL16776218 0.75 RPS6KA3 (0.42) RPS6KA3RPS6KA2HRH3HTR2CCACNA1G

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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — 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 RPS6KA3 2368/4885RPS6KA2 2318/4885MCHR1 4256/4885

“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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