SCHEMBL3676161

SCHEMBL3676161

O=C(Nc1ccc(-c2ccccc2)cc1)Nc1cc(Cl)ccc1O

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 6/20 0.73
CNR1 P21554 8/20 0.63
KCNMA1 Q12791 2/20 0.58
CA12 O43570 2/20 0.58
CA1 P00915 2/20 0.58
CA2 P00918 2/20 0.58
CA9 Q16790 2/20 0.58
NTRK1 P04629 1/20 0.57
CDK19 Q9BWU1 1/20 0.57
POLB P06746 1/20 0.54

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
SCHEMBL1883575 0.91 GRIK1 (0.70) GRIK1KCNMA1CA12CA1CA2
SCHEMBL5594888 0.88 HDAC1 (0.67) GRIK1CNR1CA12CA1CA2
SCHEMBL1883373 0.88 CA12 (0.71) GRIK1KCNMA1CA12CA1CA2
SCHEMBL4358450 0.85 CA12 (0.68) GRIK1KCNMA1CA12CA1CA2
SCHEMBL3957387 0.84 GRIK1 (1.00) GRIK1
SCHEMBL20557568 0.83 CNR1 (0.81) GRIK1CNR1
SCHEMBL28295632 0.83 KCNMA1 (0.68) GRIK1KCNMA1CA12CA1CA2
SCHEMBL420364 0.82 GRIK1 (0.80) GRIK1CNR1
SCHEMBL17316238 0.81 CA12 (0.59) GRIK1KCNMA1CA12CA1CA2
SCHEMBL1882786 0.80 NTRK1 (0.60) GRIK1KCNMA1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234349-A1 PHARMACEUTICAL COMBINATIONS OF A NICOTINE RECEPTOR MODULATOR AND A COGNITIVE ENHANCER NEUROSEARCH A/S (DK) 2010-09-16 US claimed
US-20070142450-A1 Novel urea derivatives and their medical use NEUROSEARCH A/S (DK) 2007-06-21 US claimed
EP-2255848-A2 Pharmaceutical combinations of a nicotine receptor modulator and a cognitive enhancer NeuroSearch AS (DK) 2010-12-01 EP disclosed
US-20070142450-A1 Novel urea derivatives and their medical use NEUROSEARCH A/S (DK) 2007-06-21 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-20100234349-A1 PHARMACEUTICAL COMBINATIONS OF A NICOTINE RECEPTOR MODULATOR AND A COGNITIVE ENHANCER CHRNA10, CHRNA4, CHRNA5 GRIK1 46/4885CNR1 99/4885KCNMA1 587/4885
US-20070142450-A1 Novel urea derivatives and their medical use ACHE, NMUR1, NMUR2 GRIK1 1260/4885CNR1 32/4885KCNMA1 2323/4885

“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.