SCHEMBL1078089

SCHEMBL1078089

Cc1nc(C(=O)O)c(C)n1-c1ccccc1.[LiH]

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 7/20 0.56
CNR2 P34972 7/20 0.56
HTT P42858 2/20 0.50
HSD17B10 Q99714 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ALDH1A1 P00352 2/20 0.47
NOTUM Q6P988 1/20 0.47
TSHR P16473 2/20 0.47
MAPK1 P28482 2/20 0.46
GRM5 P41594 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL3684239 0.98 CNR1 (0.57) CNR1CNR2HTTHSD17B10MEN1
Adamantane SCHEMBL27759633 0.89 CNR2 (0.70) CNR1CNR2HTTHSD17B10MEN1
SCHEMBL27760017 0.87 CNR2 (0.64) CNR1CNR2HTTHSD17B10MEN1
SCHEMBL23889217 0.86 CNR1 (0.56) CNR1CNR2HTTHSD17B10MEN1
SCHEMBL16063426 0.85 CNR1 (0.54) CNR1CNR2HTTHSD17B10MEN1
Lithium Ion SCHEMBL1078086 0.83 CNR2 (0.56) CNR1CNR2HTTHSD17B10MEN1
SCHEMBL5782959 0.83 MDM2 (0.54) HTTHSD17B10MEN1KMT2AALDH1A1
SCHEMBL20647071 0.82 CNR1 (0.54) CNR1CNR2HTTHSD17B10MEN1
SCHEMBL22641005 0.82 CNR2 (0.52) CNR1CNR2HTTHSD17B10MEN1
SCHEMBL4961512 0.82 CNR1 (0.55) CNR1CNR2HSD17B10MEN1KMT2A

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-8835436-B2 Arylpiperazine-containing imidazole 4-carboxamide derivatives and pharmaceutical composition comprising same GREEN CROSS CORPORATION (KR) 2014-09-16 US disclosed
US-20120115881-A1 NOVEL ARYLPIPERAZINE-CONTAINING IMIDAZOLE 4-CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GREEN CROSS CORPORATION (KR) 2012-05-10 US disclosed
WO-2011005052-A2 NOVEL ARYLPIPERAZINE-CONTAINING IMIDAZOLE 4-CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GREEN GROSS CORPORATION (KR) 2011-01-13 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-20120115881-A1 NOVEL ARYLPIPERAZINE-CONTAINING IMIDAZOLE 4-CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING SAME HTR2C, HTR5A, HTR2A CNR1 90/4885CNR2 27/4885HTT 359/4885

“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.