SCHEMBL6037437

SCHEMBL6037437

Cc1cc(CN(C)C)c[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
TSHR P16473 3/20 0.41
HRH3 Q9Y5N1 1/20 0.41
HMBS P08397 1/20 0.40
TTK P33981 1/20 0.39
AURKB Q96GD4 1/20 0.39
INCENP Q9NQS7 1/20 0.39
GAA P10253 2/20 0.36
HSD17B10 Q99714 2/20 0.36
LMNA P02545 1/20 0.36
GSR P00390 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX15 P16050 1/20 0.36
TAAR1 Q96RJ0 2/20 0.35
HTR7 P34969 3/20 0.35
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL13616964 0.77 TTK (0.47) ALDH1A1TSHRHRH3TTKAURKB
SCHEMBL26024419 0.73 LMNA (0.38) ALDH1A1TSHRHRH3TTKAURKB
SCHEMBL5804646 0.72
SCHEMBL1225552 0.71 DAO (0.50) ALDH1A1TSHRTTKAURKBINCENP
SCHEMBL23241465 0.70
SCHEMBL3538776 0.70
SCHEMBL13233368 0.70
SCHEMBL2528801 0.70 ALDH1A1 (0.55) ALDH1A1TSHRHRH3GAAHSD17B10
SCHEMBL261339 0.69 GABRA1 (0.45) ALDH1A1TSHRHRH3GAAHSD17B10
SCHEMBL15872023 0.67 ALDH1A1 (0.46) ALDH1A1TSHRHRH3GAAHSD17B10

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
WO-2006001719-A1 POLYMER FILAMENTS MASSEY UNIVERSITY (NZ) 2006-01-05 WO claimed
US-8466143-B2 Azepine derivatives as pharmaceutical agents EXELIXIS, INC. (US) 2013-06-18 US disclosed
US-20070015746-A1 Azepine derivaties as pharmaceutical agents X-CEPTOR THERAPEUTICS INC. (US) 2007-01-18 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-20070015746-A1 Azepine derivaties as pharmaceutical agents HTR5A, TACR2, TACR1 ALDH1A1 933/4885TSHR 138/4885HRH3 240/4885

“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.