SCHEMBL19865041

SCHEMBL19865041

C[C@@H]1CCN(C)c2ccc(N3CC[C@H](N(C)C)C3)nc2N1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 2/20 0.45
▸ HRH4 Q9H3N8 3/20 0.41
▸ HRH3 Q9Y5N1 3/20 0.41
▸ PDE10A Q9Y233 2/20 0.38
▸ EGLN2 Q96KS0 1/20 0.36
▸ P2RX7 Q99572 2/20 0.35
▸ HTR1D P28221 2/20 0.35
▸ HTR3A P46098 2/20 0.35
▸ HTR6 P50406 2/20 0.35
▸ TMEM97 Q5BJF2 2/20 0.35
▸ MAPK8 P45983 2/20 0.35
▸ BTK Q06187 2/20 0.35
▸ MRGPRX2 Q96LB1 2/20 0.35
▸ HTR1A P08908 1/20 0.35
▸ DRD2 P14416 1/20 0.35
▸ HTR1B P28222 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ ADRA1B P35368 1/20 0.35
▸ CHEK2 O96017 1/20 0.35
▸ MAPK10 P53779 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
SCHEMBL17618337 0.83 MAP4K4 (0.48) MAP4K4HRH4HRH3PDE10AEGLN2
SCHEMBL20632095 0.82 MAP4K4 (0.47) MAP4K4HRH4HRH3PDE10AEGLN2
SCHEMBL16238612 0.82 MAP4K4 (0.47) MAP4K4HRH4HRH3PDE10AEGLN2
SCHEMBL19670178 0.76 CASP1 (0.40) HRH4HRH3HTR3AHTR6HTR1A
SCHEMBL19365307 0.72 ALOX5 (0.33) HRH4HRH3HTR3AKCNH2
SCHEMBL19865063 0.70 HPGDS (0.36) DRD2ATR
SCHEMBL20633010 0.70 MAP4K4 (0.43) MAP4K4HRH4HRH3PDE10AEGLN2
SCHEMBL4353943 0.68 HTR2C (0.49) MAP4K4HRH4HRH3PDE10AEGLN2
SCHEMBL1912051 0.67 MAP4K4 (0.58) MAP4K4HRH4HRH3PDE10AEGLN2
SCHEMBL10207541 0.67 MAP4K4 (0.58) MAP4K4HRH4HRH3PDE10AEGLN2

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-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2018-02-15 — — 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-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 MAP4K4 1867/4885HRH4 2796/4885HRH3 2667/4885

“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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