SCHEMBL3673077

SCHEMBL3673077

CC(=Cc1cccnc1)C(C)=NO

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 2/20 0.53
CYP19A1 P11511 1/20 0.53
TRPA1 O75762 1/20 0.50
MAPT P10636 4/20 0.49
ALDH1A1 P00352 3/20 0.49
MAPK1 P28482 2/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
KDM4E B2RXH2 3/20 0.43
CYP11B1 P15538 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
JUN P05412 1/20 0.42
NFKB1 P19838 1/20 0.42
GPR55 Q9Y2T6 1/20 0.42
ALOX5 P09917 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
TBXAS1 P24557 4/20 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
SCHEMBL3673074 1.00 CYP11B2 (0.53) CYP11B2CYP19A1TRPA1MAPTALDH1A1
SCHEMBL4299302 0.81 TRPA1 (0.55) CYP11B2CYP19A1TRPA1MAPTALDH1A1
SCHEMBL4299306 0.81 TRPA1 (0.55) CYP11B2CYP19A1TRPA1MAPTALDH1A1
SCHEMBL4299298 0.81 TRPA1 (0.55) CYP11B2CYP19A1TRPA1MAPTALDH1A1
SCHEMBL7127950 0.79 MAPT (0.55) CYP11B2CYP19A1MAPTALDH1A1MAPK1
SCHEMBL1583517 0.79 MAPT (0.55) CYP11B2CYP19A1MAPTALDH1A1MAPK1
SCHEMBL3668616 0.78 TRPA1 (0.61) CYP11B2CYP19A1TRPA1MAPTKMT2A
SCHEMBL3668618 0.78 TRPA1 (0.61) CYP11B2CYP19A1TRPA1MAPTKMT2A
SCHEMBL28252409 0.77 TRPA1 (0.66) TRPA1ALDH1A1KMT2ASMN1; SMN2LMNA
SCHEMBL14198047 0.77 MAPT (0.58) CYP11B2CYP19A1MAPTALDH1A1MAPK1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150065538-A1 TRPA1 ANTAGONISTS ABBVIE INC (US) 2015-03-05 US claimed
EP-2240450-A1 TRPA1 ANTAGONISTS Abbott Laboratories (US) 2010-10-20 EP claimed
US-20090264480-A1 TRPA1 ANTAGONISTS ABBOTT LABORATORIES (US) 2009-10-22 US claimed
WO-2009089083-A1 TRPA1 ANTAGONISTS ABBOTT LABORATORIES (US) 2009-07-16 WO claimed
US-9751850-B2 TRPA1 antagonists ABBVIE INC. (US) 2017-09-05 US disclosed
US-20150065538-A1 TRPA1 ANTAGONISTS ABBVIE INC (US) 2015-03-05 US disclosed
US-8877784-B2 TRPA1 antagonists ABBVIE INC. (US) 2014-11-04 US disclosed
EP-2240450-A1 TRPA1 ANTAGONISTS Abbott Laboratories (US) 2010-10-20 EP disclosed
US-20090264480-A1 TRPA1 ANTAGONISTS ABBOTT LABORATORIES (US) 2009-10-22 US disclosed
WO-2009089083-A1 TRPA1 ANTAGONISTS ABBOTT LABORATORIES (US) 2009-07-16 WO 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-20150065538-A1 TRPA1 ANTAGONISTS TRPA1, TRPV1, TRPV2 CYP11B2 1513/4885CYP19A1 1800/4885TRPA1 1/4885
US-20090264480-A1 TRPA1 ANTAGONISTS TRPA1, TRPV1, TRPV2 CYP11B2 1513/4885CYP19A1 1800/4885TRPA1 1/4885

“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.