SCHEMBL803679

SCHEMBL803679

CC(C)(C)CC1CCN(Cc2ccccn2)C1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
LMNA P02545 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
SIGMAR1 Q99720 1/20 0.50
HRH1 P35367 1/20 0.48
CYP2C19 P33261 2/20 0.47
CYP1A2 P05177 1/20 0.47
KMT2A Q03164 1/20 0.47
POLB P06746 2/20 0.46
CYP2D6 P10635 1/20 0.46
TRPV6 Q9H1D0 1/20 0.45
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
ALDH1A1 P00352 2/20 0.44
PDE2A O00408 1/20 0.43
CXCR3 P49682 1/20 0.43

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
SCHEMBL803676 0.92 LMNA (0.50) KDM4ESMN1; SMN2LMNAL3MBTL1SIGMAR1
SCHEMBL803088 0.92 KDM4E (0.59) KDM4ESMN1; SMN2LMNAL3MBTL1SIGMAR1
SCHEMBL803093 0.82 CHRM4 (0.39) KDM4ESMN1; SMN2LMNACYP1A2CYP2D6
SCHEMBL803403 0.82 KDM4E (0.36) KDM4ESMN1; SMN2LMNAL3MBTL1SIGMAR1
SCHEMBL803402 0.81 TNKS (0.36) KDM4ESMN1; SMN2LMNASIGMAR1HRH1
SCHEMBL13512464 0.80 KDM4E (0.59) KDM4ESMN1; SMN2LMNAL3MBTL1SIGMAR1
SCHEMBL14197754 0.80 LMNA (0.60) KDM4ESMN1; SMN2LMNAL3MBTL1SIGMAR1
SCHEMBL13512585 0.80 KDM4E (0.61) KDM4ESMN1; SMN2LMNAL3MBTL1SIGMAR1
SCHEMBL12776472 0.78 L3MBTL1 (0.58) KDM4ESMN1; SMN2LMNAL3MBTL1SIGMAR1
SCHEMBL938062 0.78 L3MBTL1 (0.57) KDM4ESMN1; SMN2LMNAL3MBTL1SIGMAR1

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 KDM4E 2727/4885SMN1; SMN2 2971/4885LMNA 1463/4885

“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.