SCHEMBL6707987

SCHEMBL6707987

NC(=O)Cc1ccc(CN2CCNC(=O)C2)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
TNIK Q9UKE5 1/20 0.46
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
CYP11B2 P19099 1/20 0.43
KMT2A Q03164 2/20 0.41
ATM Q13315 1/20 0.41
CA2 P00918 1/20 0.41
LMNA P02545 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 1/20 0.40
MCHR1 Q99705 1/20 0.39
PARP1 P09874 1/20 0.39
SCN9A Q15858 1/20 0.39

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
SCHEMBL3149433 0.82 ALDH1A1 (0.50) GRM2SMN1; SMN2JAK2JAK1KMT2A
SCHEMBL17468364 0.82 CXCR4 (0.55) SMN1; SMN2KMT2AATMLMNAMEN1
SCHEMBL3047472 0.81 SMN1; SMN2 (0.47) GRM2SMN1; SMN2TNIKJAK2JAK1
SCHEMBL4751222 0.80 SMN1; SMN2 (0.58) SMN1; SMN2JAK2JAK1KMT2AATM
SCHEMBL6707988 0.79 KMT2A (0.43) GRM2SMN1; SMN2TNIKJAK2JAK1
SCHEMBL4748942 0.79 ALDH1A1 (0.61) GRM2SMN1; SMN2KMT2AATMMEN1
SCHEMBL1427302 0.79 ALDH1A1 (0.47) SMN1; SMN2TNIKJAK2JAK1KMT2A
SCHEMBL3317934 0.79 GRM2 (0.54) GRM2SMN1; SMN2TNIKJAK2JAK1
SCHEMBL220097 0.79 SIGMAR1 (0.62) SMN1; SMN2KMT2AATMMEN1
Hydrochloric Acid SCHEMBL2313156 0.78 CXCR4 (0.42) GRM2SMN1; SMN2TNIKJAK2JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040242572-A1 New carboxamide compounds having melanin concentrating hormone antagonistic activity, pharmaceutical preparations comprising these compounds and process for their manufacture BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-12-02 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-20040242572-A1 New carboxamide compounds having melanin concentrating hormone antagonistic activity, pharmaceutical preparations comprising these compounds and process for their manufacture MCHR2, MCHR1, NPY1R GRM2 500/4885SMN1; SMN2 3130/4885TNIK 4406/4885

“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.