SCHEMBL803104

SCHEMBL803104

CC(C)(C)c1ccnc(N2CCCC2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.51
KDM4E B2RXH2 2/20 0.49
PKM P14618 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HSD17B10 Q99714 1/20 0.43
ACHE P22303 2/20 0.43
RBP4 P02753 1/20 0.42
DYRK1A Q13627 1/20 0.40
OGA O60502 1/20 0.40
ALDH1A1 P00352 2/20 0.40
CHRNA7 P36544 1/20 0.40
CCNT1 O60563 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CDK9 P50750 1/20 0.40
POLB P06746 1/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL25888668 0.98 ADRB1 (0.50) ADRB1KDM4EPKMKMT2ALMNA
SCHEMBL11988216 0.86 ADRB1 (0.49) ADRB1KDM4ELMNASMN1; SMN2HSD17B10
SCHEMBL28326990 0.85 ADRB1 (0.48) ADRB1KDM4EPKMKMT2AACHE
SCHEMBL2038053 0.85 ADRB1 (0.48) ADRB1KDM4EPKMKMT2AHSD17B10
SCHEMBL18120347 0.85 PIK3CA (0.50) ADRB1KDM4EKMT2ALMNASMN1; SMN2
SCHEMBL11916019 0.85 ADRB1 (0.72) ADRB1KDM4ELMNASMN1; SMN2HSD17B10
SCHEMBL15706257 0.82 RBP4 (0.46) ADRB1KDM4ELMNASMN1; SMN2HSD17B10
SCHEMBL13286847 0.81 ADRB1 (0.71) ADRB1KDM4EPKMKMT2AHSD17B10
SCHEMBL19772853 0.80 RBP4 (0.44) ADRB1KDM4EKMT2ALMNASMN1; SMN2
SCHEMBL28070992 0.79 ADRB1 (0.73) ADRB1KDM4EPKMKMT2AHSD17B10

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 3 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
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 ADRB1 52/4885KDM4E 2727/4885PKM 1255/4885

“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.