SCHEMBL14022007

SCHEMBL14022007

Cc1cncc(-n2c(C)ccc2C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.40
CHRNB4 P30926 3/20 0.40
CHRNA3 P32297 3/20 0.40
CHRNA4 P43681 3/20 0.40
KDM4E B2RXH2 7/20 0.39
ALDH1A1 P00352 6/20 0.39
MAPT P10636 6/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
ALOX15 P16050 3/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
NR4A1 P22736 2/20 0.38
LMNA P02545 2/20 0.37
HCAR2 Q8TDS4 1/20 0.36
CYP2A6 P11509 2/20 0.36
HTT P42858 2/20 0.36
MAT2A P31153 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36

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
SCHEMBL4573039 0.79 KDM4E (0.47) CHRNB2CHRNB4CHRNA3CHRNA4KDM4E
SCHEMBL25615106 0.75 CHRNA3 (0.42) CHRNB2CHRNB4CHRNA3CHRNA4KDM4E
SCHEMBL7216892 0.74 PTGS2 (0.67) KDM4EALDH1A1MAPTHPGD
SCHEMBL4786163 0.74 NR4A1 (0.66) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL13052901 0.70 NR4A1 (0.56) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL4884791 0.70 CYP2A6 (0.53) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL21863404 0.70 CHRNB2 (0.40) CHRNB2CHRNB4CHRNA3CHRNA4HCAR2
SCHEMBL12369610 0.70 CHRNB2 (0.44) CHRNB2CHRNB4CHRNA3CHRNA4KDM4E
SCHEMBL20153304 0.70 CHRNB2 (0.40) CHRNB2CHRNB4CHRNA3CHRNA4LMNA
SCHEMBL17054304 0.69 KDM4E (0.44) CHRNB2CHRNB4CHRNA3CHRNA4KDM4E

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-20170002016-A1 AZASPIRO DERIVATIVES AS TRPM8 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2017-01-05 US disclosed
US-20170002016-A1 AZASPIRO DERIVATIVES AS TRPM8 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2017-01-05 US disclosed
US-20080267942-A1 BENZAZEPIN-2(1H)-ONE DERIVATIVES PFIZER LIMITED (GB) 2008-10-30 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 (2 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-20170002016-A1 AZASPIRO DERIVATIVES AS TRPM8 ANTAGONISTS TRPM8, TRPM7, TRPM5 CHRNB2 877/4885CHRNB4 1507/4885CHRNA3 582/4885
US-20080267942-A1 BENZAZEPIN-2(1H)-ONE DERIVATIVES ADRB2, ADRB1, ADRA2C CHRNB2 47/4885CHRNB4 154/4885CHRNA3 197/4885

“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.