SCHEMBL803676

SCHEMBL803676

CC(C)(C)CC1CCCN(Cc2ccccn2)C1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
PDE2A O00408 1/20 0.49
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KAT2B Q92831 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
POLB P06746 1/20 0.47
HRH1 P35367 1/20 0.46
MAP3K12 Q12852 1/20 0.46
KCNH2 Q12809 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
ROCK2 O75116 1/20 0.45
ROCK1 Q13464 1/20 0.45
MAPT P10636 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL803679 0.92 KDM4E (0.53) LMNAPDE2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL803088 0.83 KDM4E (0.59) LMNAALDH1A1KDM4ESMN1; SMN2L3MBTL1
SCHEMBL803080 0.83 PDE2A (0.37) LMNAPDE2AALDH1A1KAT2BPOLB
SCHEMBL19844766 0.83 LMNA (0.51) LMNAPDE2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL803467 0.82 TNKS (0.38) LMNAALDH1A1KDM4EKAT2BL3MBTL1
SCHEMBL19844817 0.81 LMNA (0.58) LMNAPDE2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL13212679 0.81 LMNA (0.58) LMNAPDE2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL803463 0.79 CYP2D6 (0.59) ALDH1A1KDM4EPOLBCYP1A2CYP2C19
SCHEMBL12531166 0.78 LMNA (0.51) LMNAPDE2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL6972471 0.78 ALDH1A1 (0.61) LMNAPDE2AALDH1A1KDM4ESMN1; SMN2

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 LMNA 1463/4885PDE2A 611/4885ALDH1A1 1267/4885

“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.