SCHEMBL17536555

SCHEMBL17536555

Cc1cccnc1N[C@@H]1CCCN(C(=O)O)C1C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 8/20 0.39
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
HTT P42858 1/20 0.38
ATM Q13315 1/20 0.38
ITGB3 P05106 1/20 0.37
ITGB1 P05556 1/20 0.37
ITGAV P06756 1/20 0.37
ITGA5 P08648 1/20 0.37
ITGA4 P13612 1/20 0.37
SSTR4 P31391 3/20 0.37
CDK5 Q00535 1/20 0.37
DYRK1A Q13627 1/20 0.37
CDK5R1 Q15078 1/20 0.37
HCRTR2 O43614 5/20 0.36
KAT2B Q92831 1/20 0.35
SSTR1 P30872 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
SCHEMBL17536544 0.88 ALDH1A1 (0.38) HCRTR1SSTR4HCRTR2KAT2B
SCHEMBL17536542 0.82 DRD2 (0.42) HCRTR1SSTR4HCRTR2SSTR1
SCHEMBL17536528 0.78 RPLP1 (0.35) HCRTR1HCRTR2
SCHEMBL17536532 0.76 ITGB3 (0.35) HCRTR1ITGB3ITGB1ITGAVITGA5
SCHEMBL2128328 0.73 KMT2A (0.46) HCRTR1HCRTR2
SCHEMBL22496736 0.72 JAK3 (0.38)
SCHEMBL16177137 0.72 JAK3 (0.50)
SCHEMBL1120229 0.72 DPP4 (0.52) HCRTR1
SCHEMBL376384 0.72 HCRTR2 (0.36) HCRTR1HCRTR2
SCHEMBL21952101 0.71 TRPV1 (0.35) HCRTR1HCRTR2

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-20160058768-A1 SUBSTITUTED AMIDE COMPOUNDS PFIZER (US) 2016-03-03 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-20160058768-A1 SUBSTITUTED AMIDE COMPOUNDS CETP, APOB, LCAT HCRTR1 2502/4885RAB9A 2567/4885NPC1 34/4885

“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.