SCHEMBL12340979

SCHEMBL12340979

CC1Cc2ccccc2N(C)C(C)C1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.41
HTR2A P28223 5/20 0.39
HTR2C P28335 5/20 0.39
HTR2B P41595 4/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
ADRA1A P35348 1/20 0.39
HRH1 P35367 1/20 0.39
KCNH2 Q12809 1/20 0.39
PRKCG P05129 1/20 0.37
PRKCA P17252 1/20 0.37
PRKCD Q05655 1/20 0.37
OPRM1 P35372 2/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 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
SCHEMBL787596 0.89 NOTUM (0.43) NOTUMHTR2AHTR2CHTR2BADRA2A
SCHEMBL21172504 0.89 NOTUM (0.43) NOTUMHTR2AHTR2CHTR2BADRA2A
SCHEMBL21172724 0.89 NOTUM (0.43) NOTUMHTR2AHTR2CHTR2BADRA2A
SCHEMBL21172695 0.78 NOTUM (0.41) NOTUMHTR2AHTR2CHTR2BADRA2A
SCHEMBL6890897 0.76 NOTUM (0.55) NOTUMHTR2AHTR2CHTR2BADRA2A
SCHEMBL811795 0.76 NOTUM (0.55) NOTUMHTR2AHTR2CHTR2BADRA2A
SCHEMBL7733992 0.76 NOTUM (0.55) NOTUMHTR2AHTR2CHTR2BADRA2A
SCHEMBL31672940 0.76 NOTUM (0.55) NOTUMHTR2AHTR2CHTR2BADRA2A
SCHEMBL24347707 0.75 NOTUM (0.39) NOTUMHTR2AHTR2CHTR2BADRA2A
SCHEMBL21172795 0.75 NOTUM (0.39) NOTUMHTR2AHTR2CHTR2BADRA2A

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-8268815-B2 Pyrimidine compounds and use thereof ABBOTT GMBH & CO. KG (DE) 2012-09-18 US disclosed
US-20110118232-A1 PYRIMIDINE COMPOUNDS AND USE THEREOF ABBOTT GMBH & CO. KG (DE) 2011-05-19 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-20110118232-A1 PYRIMIDINE COMPOUNDS AND USE THEREOF CRHR1, CRHR2, MC2R NOTUM 4351/4885HTR2A 339/4885HTR2C 177/4885

“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.