SCHEMBL803401

SCHEMBL803401

CC(C)(C)CC1CCCN(Cc2ccncc2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
POLB P06746 1/20 0.49
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 1/20 0.47
PKM P14618 2/20 0.46
LMNA P02545 1/20 0.46
ALDH1A1 P00352 5/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
NPC1 O15118 1/20 0.46
MAPK1 P28482 1/20 0.46
RAB9A P51151 1/20 0.46
BLM P54132 1/20 0.46
CYP2D6 P10635 2/20 0.46
KDM4E B2RXH2 2/20 0.44
HSD11B1 P28845 1/20 0.43
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL803095 0.91 HSD11B1 (0.47) MAPTPOLBPKMKMT2AMEN1
SCHEMBL9212732 0.87 CYP3A4 (0.50) MAPTPOLBCYP1A2CYP3A4CYP2C9
SCHEMBL13597000 0.85 CYP1A2 (0.49) MAPTPOLBCYP1A2CYP3A4CYP2C9
SCHEMBL803463 0.85 CYP2D6 (0.59) POLBCYP1A2CYP3A4ALDH1A1KMT2A
SCHEMBL803673 0.84 CHRNB2 (0.58) MAPTPOLBALDH1A1KMT2AMEN1
SCHEMBL803671 0.83 KAT2B (0.46) MAPTPOLBCYP1A2CYP3A4ALDH1A1
SCHEMBL8328716 0.82 CYP1A2 (0.49) MAPTPOLBCYP1A2CYP3A4CYP2C9
SCHEMBL8326768 0.82 CYP2D6 (0.66) MAPTPOLBCYP1A2CYP3A4CYP2C9
SCHEMBL803087 0.82 ACHE (0.49) ALDH1A1KMT2AMEN1KDM4E
SCHEMBL803080 0.81 PDE2A (0.37) MAPTPOLBCYP1A2CYP3A4CYP2C9

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-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 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-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 MAPT 3149/4885POLB 3355/4885CYP1A2 1988/4885

“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.