SCHEMBL5249165

SCHEMBL5249165

COc1cccc(C(=O)CN2CCC(CN3Cc4ccccc4C3=O)CC2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.67
HTR2A P28223 1/20 0.67
TMEM97 Q5BJF2 1/20 0.67
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA9 Q16790 1/20 0.50
MAPT P10636 2/20 0.47
ALDH1A1 P00352 2/20 0.47
SCN1A P35498 2/20 0.47
SCN5A Q14524 2/20 0.47
SCN9A Q15858 2/20 0.47
KDM2B Q8NHM5 2/20 0.46
KDM4E B2RXH2 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
KDR P35968 1/20 0.44
CBX7 O95931 1/20 0.44
CDYL2 Q8N8U2 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
Fumaric Acid SCHEMBL5253226 0.95 HTR1A (0.61) HTR1AHTR2ATMEM97MEN1KMT2A
Fumaric Acid SCHEMBL5253230 0.95 HTR1A (0.61) HTR1AHTR2ATMEM97MEN1KMT2A
SCHEMBL5253797 0.89 HTR1A (0.76) HTR1AHTR2ATMEM97MAPTALDH1A1
Hydrochloric Acid SCHEMBL5247921 0.89 HTR1A (0.75) HTR1AHTR2ATMEM97KMT2AMAPT
SCHEMBL5248301 0.88 HTR1A (0.62) HTR1AHTR2ATMEM97MEN1KMT2A
SCHEMBL5248309 0.87 HTR1A (0.70) HTR1AHTR2ATMEM97ALDH1A1ACHE
SCHEMBL5250232 0.86 HTR1A (0.84) HTR1AHTR2ATMEM97MAPTALDH1A1
SCHEMBL5248903 0.85 HTR2A (0.70) HTR1AHTR2ATMEM97ALDH1A1KDM2B
Hydrochloric Acid SCHEMBL5250528 0.85 HTR1A (0.82) HTR1AHTR2ATMEM97MAPTALDH1A1
SCHEMBL5251937 0.84 HTR1A (0.74) HTR1AHTR2ATMEM97ALDH1A1CBX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1260512-B1 NOVEL CYCLIC AMIDE DERIVATIVES MITSUBISHI PHARMA CORP (JP) 2007-07-04 EP disclosed
US-7166617-B2 Cyclic amide derivatives MITSUBISHI PHARMA CORPORATION (JP) 2007-01-23 US disclosed
US-20030212094-A1 Novel cyclic amide derivatives MITSUBISHI PHARMA CORPORATION (JP) 2003-11-13 US disclosed
EP-1260512-A1 NOVEL CYCLIC AMIDE DERIVATIVES Mitsubishi Pharma Corporation (JP) 2002-11-27 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 (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-20030212094-A1 Novel cyclic amide derivatives SIGMAR1, OPRM1, OPRD1 HTR1A 79/4885HTR2A 153/4885TMEM97 10/4885

“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.