SCHEMBL1661389

SCHEMBL1661389

Cn1cc(C[C@H](N)CO)c2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GPR84 Q9NQS5 1/20 0.57
▸ SCN9A Q15858 2/20 0.55
▸ HTR2A P28223 1/20 0.55
▸ IDO1 P14902 1/20 0.49
▸ CA2 P00918 1/20 0.48
▸ AKT1 P31749 2/20 0.47
▸ KDM4E B2RXH2 2/20 0.46
▸ HPGD P15428 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ RECQL P46063 1/20 0.45
▸ AHR P35869 1/20 0.45
▸ KEAP1 Q14145 1/20 0.44
▸ NFE2L2 Q16236 1/20 0.44

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
SCHEMBL4601998 1.00 GPR84 (0.57) GPR84SCN9AHTR2AIDO1CA2
SCHEMBL1661391 1.00 GPR84 (0.57) GPR84SCN9AHTR2AIDO1CA2
SCHEMBL16366297 0.86 GPR84 (0.59) GPR84HTR2AIDO1CA2AKT1
SCHEMBL24247571 0.83 GPR84 (0.59) GPR84HTR2AIDO1CA2KDM4E
SCHEMBL14610760 0.83 GPR84 (0.59) GPR84HTR2AIDO1CA2KDM4E
SCHEMBL8416936 0.82 GPR84 (0.62) GPR84HTR2AIDO1CA2KDM4E
SCHEMBL12113330 0.82 GPR84 (0.62) GPR84HTR2AIDO1CA2KDM4E
SCHEMBL5149260 0.82 SCN9A (0.53) SCN9AALDH1A1MAPTRECQL
SCHEMBL5156070 0.82 SCN9A (0.53) SCN9AALDH1A1MAPTRECQL
SCHEMBL4613529 0.82 SCN9A (0.53) SCN9AALDH1A1MAPTRECQL

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
EP-1958940-B1 CONDENSATION REACTION BY METAL CATALYST TAKASAGO PERFUMERY CO LTD (JP) 2013-06-26 — — EP disclosed
US-20110098479-A1 CONDENSATION REACTION BY METAL CATALYST MASHIMA KAZUSHI 2011-04-28 — — US disclosed
US-7888513-B2 Condensation reaction by metal catalyst TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-02-15 — — US disclosed
US-20090198070-A1 Condensation Reaction by Metal Catalyst OSAKA UNIVERSITY (JP) 2009-08-06 — — US disclosed
EP-1958940-A1 CONDENSATION REACTION BY METAL CATALYST Takasago International Corporation (JP) 2008-08-20 — — EP 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-20110098479-A1 CONDENSATION REACTION BY METAL CATALYST C9, CBR3, C1R GPR84 2736/4885SCN9A 4162/4885HTR2A 2311/4885
US-20090198070-A1 Condensation Reaction by Metal Catalyst C9, CBR3, C1R GPR84 2736/4885SCN9A 4162/4885HTR2A 2311/4885

“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.

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