SCHEMBL4404012

SCHEMBL4404012

COc1ccc2c(c1)CNC2C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.50
CHRNA7 P36544 2/20 0.44
CHRNB2 P17787 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA4 P43681 1/20 0.44
HTR2A P28223 2/20 0.44
HTR2B P41595 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
DRD1 P21728 1/20 0.41
KCNH2 Q12809 1/20 0.41
RYR2 Q92736 1/20 0.41

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
SCHEMBL30932908 0.83 HTR2C (0.63) HTR2CHTR2AHTR2BCA1CA2
SCHEMBL1010205 0.83 HTR2C (0.63) HTR2CHTR2AHTR2BCA1CA2
Hydrochloric Acid SCHEMBL9433620 0.81 MAOA (0.62) HTR2CHTR2AHTR2BCA1CA2
SCHEMBL4564236 0.79 OPRM1 (0.37) HTR2COPRM1
SCHEMBL14304620 0.78 HTR2C (0.43) HTR2CCHRNA7CHRNB2CHRNB4CHRNA3
SCHEMBL6491638 0.76 HTR2C (0.72) HTR2CCHRNA7CHRNB2CHRNB4CHRNA3
SCHEMBL13460942 0.76 CHRNB2 (0.39) HTR2CCHRNB2CHRNA4DRD1TSHR
SCHEMBL18664431 0.76 CHRNB2 (0.39) HTR2CCHRNB2CHRNA4DRD1TSHR
Hydrochloric Acid SCHEMBL21980652 0.75 CHRNB2 (0.48) HTR2CCHRNA7CHRNB2CHRNB4CHRNA3
SCHEMBL20526162 0.74 HTR2C (0.41) HTR2CCHRNA7CHRNB2CHRNB4CHRNA3

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-8168667-B2 Imidazolidine derivatives, uses therefor, preparation thereof and compositions comprising such GALAPAGOS NV (BE) 2012-05-01 US disclosed
US-20100210699-A1 IMIDAZOLIDINE DERIVATIVES, USES THEREFOR, PREPARATION THEREOF AND COMPOSITIONS COMPRISING SUCH DART THERAPUTICS, LLC. 2010-08-19 US disclosed
US-20100063120-A1 Imidazolidine Derivatives, Uses Therefor, Preparation Thereof and Compositions Comprising Such SASU, GALAPAGOS (FR) 2010-03-11 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-20100210699-A1 IMIDAZOLIDINE DERIVATIVES, USES THEREFOR, PREPARATION THEREOF AND COMPOSITIONS COMPRISING SUCH NR5A1, AR, HSD17B7 HTR2C 978/4885CHRNA7 620/4885CHRNB2 2163/4885
US-20100063120-A1 Imidazolidine Derivatives, Uses Therefor, Preparation Thereof and Compositions Comprising Such NR5A1, AR, HSD17B7 HTR2C 951/4885CHRNA7 630/4885CHRNB2 2164/4885

“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.