SCHEMBL14587774

SCHEMBL14587774

Cc1cccnc1N1CCC(CC(C)(C)C)CC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.48
KMT2A Q03164 1/20 0.42
TRPV1 Q8NER1 4/20 0.41
MALT1 Q9UDY8 2/20 0.41
LCAT P04180 1/20 0.41
DRD4 P21917 1/20 0.40
PDE10A Q9Y233 1/20 0.39
F13A1 P00488 1/20 0.38
TGM2 P21980 1/20 0.38
TGM1 P22735 1/20 0.38
TGM3 Q08188 1/20 0.38
SMO Q99835 1/20 0.38

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
SCHEMBL4769377 0.84 HSD11B1 (0.47) HSD11B1KMT2ATRPV1MALT1LCAT
SCHEMBL4716654 0.84 HSD11B1 (0.49) HSD11B1KMT2ATRPV1MALT1LCAT
Hydrochloric Acid SCHEMBL4422336 0.83 HSD11B1 (0.46) HSD11B1KMT2ATRPV1MALT1LCAT
SCHEMBL30778167 0.81 HSD11B1 (0.47) HSD11B1KMT2ATRPV1MALT1LCAT
SCHEMBL3552058 0.80 KMT2A (0.61) HSD11B1KMT2ATRPV1MALT1PDE10A
SCHEMBL17206944 0.80 HSD11B1 (0.50) HSD11B1KMT2ATRPV1MALT1LCAT
SCHEMBL3436511 0.78 SMO (0.53) HSD11B1KMT2ATRPV1MALT1LCAT
SCHEMBL3436628 0.78 HSD11B1 (0.49) HSD11B1KMT2ATRPV1MALT1LCAT
SCHEMBL2804196 0.78 HSD11B1 (0.49) HSD11B1KMT2ATRPV1MALT1
SCHEMBL24126285 0.76 HSD11B1 (0.47) HSD11B1KMT2ATRPV1MALT1LCAT

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-20070032475-A1 Novel compounds useful for bradykinin B1 receptor antagonism ELAN PHARMACEUTICALS, INC. 2007-02-08 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-20070032475-A1 Novel compounds useful for bradykinin B1 receptor antagonism BDKRB1, BDKRB2, NPBWR1 HSD11B1 1893/4885KMT2A 4091/4885TRPV1 59/4885

“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.