SCHEMBL5654093

SCHEMBL5654093

Cc1ccccc1-c1cc(N2CCOCC2)nc2ccc(NC(=O)O)cc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 7/20 0.61
GLA P06280 2/20 0.58
KDM4E B2RXH2 8/20 0.57
MAPT P10636 6/20 0.57
ALDH1A1 P00352 6/20 0.57
HPGD P15428 4/20 0.57
HSD17B10 Q99714 4/20 0.57
NPC1 O15118 4/20 0.57
LMNA P02545 1/20 0.56
TP53 P04637 1/20 0.56
MAPK1 P28482 1/20 0.56
HIF1A Q16665 2/20 0.56
RAB9A P51151 3/20 0.55
POLB P06746 1/20 0.55
GAA P10253 4/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
CYP1A2 P05177 2/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 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
SCHEMBL5653881 0.88 ALDH1A1 (0.56) GBA1GLAKDM4EMAPTALDH1A1
SCHEMBL14349132 0.85 TACR1 (0.55) GBA1GLAKDM4EMAPTALDH1A1
SCHEMBL4659314 0.81 ALDH1A1 (0.58) GLAKDM4EMAPTALDH1A1HPGD
SCHEMBL14349125 0.81 MCHR1 (0.49) GBA1KDM4EMAPTALDH1A1HPGD
SCHEMBL4659313 0.81 ALDH1A1 (0.53) GBA1GLAKDM4EMAPTALDH1A1
SCHEMBL4658305 0.79 ALDH1A1 (0.53) KDM4EMAPTALDH1A1HPGDNPC1
SCHEMBL14349128 0.78 MCHR1 (0.50) GBA1KDM4EMAPTALDH1A1HPGD
SCHEMBL4658238 0.77 KDM4E (0.47) GBA1GLAKDM4EMAPTALDH1A1
SCHEMBL14349133 0.77 MCHR1 (0.47) GBA1KDM4EMAPTALDH1A1HPGD
SCHEMBL14349130 0.77 MCHR1 (0.46) KDM4EMAPTALDH1A1HPGDRAB9A

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-20070293492-A1 Quinoline Tachykinin Receptor Antagonists MERCK SHARP & DOHME CORP. 2007-12-20 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-20070293492-A1 Quinoline Tachykinin Receptor Antagonists TACR1, TACR2, NPSR1 GBA1 1864/4885GLA 3784/4885KDM4E 2973/4885

“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.