SCHEMBL1841998

SCHEMBL1841998

C/C(C#N)=C(\N)c1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.44
POLB P06746 1/20 0.44
TSHR P16473 3/20 0.40
ALOX15 P16050 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
GABRA1 P14867 5/20 0.38
GABRG2 P18507 5/20 0.38
GABRB3 P28472 5/20 0.38
GABRB2 P47870 3/20 0.38
ALDH1A1 P00352 2/20 0.37
GABRB1 P18505 1/20 0.37
CES2 O00748 2/20 0.37
CES1 P23141 2/20 0.37
MAPK1 P28482 2/20 0.37
GAA P10253 1/20 0.37
GFER P55789 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL1841999 1.00 LMNA (0.44) LMNAPOLBTSHRALOX15CYP1A2
SCHEMBL1839012 0.80 RECQL (0.48) LMNAPOLBALDH1A1CES2CES1
SCHEMBL1839011 0.80 RECQL (0.48) LMNAPOLBALDH1A1CES2CES1
SCHEMBL18956061 0.79 POLB (0.48) LMNAPOLBTSHRALOX15CYP2C19
SCHEMBL18025368 0.79 POLB (0.45) LMNAPOLBTSHRCYP2C19ALDH1A1
SCHEMBL1837473 0.77 CA1 (0.50) LMNATSHRCYP1A2CYP2C19ALDH1A1
SCHEMBL1837474 0.77 CA1 (0.50) LMNATSHRCYP1A2CYP2C19ALDH1A1
SCHEMBL9460942 0.76 LMNA (0.42) LMNAPOLBTSHRALOX15CYP1A2
SCHEMBL9460939 0.76 LMNA (0.42) LMNAPOLBTSHRALOX15CYP1A2
SCHEMBL18956042 0.73 MAPK1 (0.45) LMNAPOLBTSHRALOX15GABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960419-B2 Substituted carboxamides ELI LILLY AND COMPANY (US) 2011-06-14 US disclosed
EP-2076502-B1 SUBSTITUTED CARBOXAMIDES AS GROUP I METABOTROPIC RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2011-05-18 EP disclosed
US-20090182025-A1 SUBSTITUTED CARBOXAMIDES ELI LILLY AND COMPANY 2009-07-16 US disclosed
EP-2076502-A2 SUBSTITUTED CARBOXAMIDES AS GROUP I METABOTROPIC RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2009-07-08 EP disclosed
WO-2008103185-A2 SUBSTITUTED CARBOXAMIDES AS GROUP I METABOTROPIC RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2008-08-28 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 (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-20090182025-A1 SUBSTITUTED CARBOXAMIDES CNR2, TRPV1, CNR1 LMNA 3718/4885POLB 3289/4885TSHR 3857/4885

“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.