SCHEMBL13656333

SCHEMBL13656333

CC(C)(C)OCCN1CCCC(O)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.47
HRH2 P25021 1/20 0.41
HRH1 P35367 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
XBP1 P17861 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SLC6A1 P30531 5/20 0.40
SLC6A11 P48066 7/20 0.39
SLC6A12 P48065 2/20 0.39
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
KMT2A Q03164 1/20 0.39
SLC6A13 Q9NSD5 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL13472101 0.90 LTA4H (0.43) HTR1AHRH2HRH1HRH3ALDH1A1
SCHEMBL25776460 0.90 LTA4H (0.43) HTR1AHRH2HRH1HRH3ALDH1A1
SCHEMBL25776459 0.82 GBA1 (0.36) ALDH1A1KCNH2CACNA1I
SCHEMBL12788355 0.81 KDM4E (0.51) HRH3ALDH1A1KDM4E
SCHEMBL10025513 0.80 HRH3 (0.46) HTR1AHRH2HRH1HRH3ALDH1A1
SCHEMBL21743279 0.80 HRH3 (0.46) HTR1AHRH2HRH1HRH3ALDH1A1
SCHEMBL26787659 0.80 SLC6A1 (0.38) HRH3ALDH1A1SLC6A1SLC6A11SLC6A12
SCHEMBL10025524 0.80 HRH3 (0.46) HTR1AHRH2HRH1HRH3ALDH1A1
SCHEMBL4296034 0.79 KCNH2 (0.45) HRH2HRH1HRH3ALDH1A1GAA
SCHEMBL23178877 0.79 SLC6A11 (0.38) ALDH1A1SLC6A1SLC6A11SLC6A12MEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7605176-B2 β-ketoamide compounds with MCH antagonistic activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-20 US disclosed
US-7605176-B2 β-ketoamide compounds with MCH antagonistic activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-20 US disclosed
US-7514447-B2 Diarylamine-containing compounds and compositions, and their use as modulators of c-kit receptors IRM LLC (BM) 2009-04-07 US disclosed
US-20070149538-A1 Diarylamine-Containing Compounds and Compositions, and their use as Modulators of C-Kit Receptors IRM LLC (BM) 2007-06-28 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-20070149538-A1 Diarylamine-Containing Compounds and Compositions, and their use as Modulators of C-Kit Receptors KIT, PRKCH, PRKCE HTR1A 130/4885HRH2 86/4885HRH1 95/4885

“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.