SCHEMBL2250418

SCHEMBL2250418

COc1cccc(C[C@@H]2CNCCN2)c1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EED O75530 1/20 0.61
LTA4H P09960 1/20 0.46
CHRM4 P08173 2/20 0.46
DRD2 P14416 2/20 0.46
HTR7 P34969 2/20 0.46
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
HTR1B P28222 1/20 0.44
IDO1 P14902 2/20 0.43
AGXT P21549 2/20 0.43
TAAR1 Q96RJ0 2/20 0.43
HRH3 Q9Y5N1 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HTR1A P08908 1/20 0.42
SLC6A4 P31645 1/20 0.42
HTR2C P28335 1/20 0.42
SIGMAR1 Q99720 1/20 0.42

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
SCHEMBL17101 1.00 EED (0.61) EEDLTA4HCHRM4DRD2HTR7
SCHEMBL28311694 0.87 EED (0.56) EEDCHRM4DRD2HTR7CHRM2
SCHEMBL5557983 0.86 EED (0.52) EEDLTA4HCHRM2CHRM1CHRM3
SCHEMBL5557978 0.86 EED (0.52) EEDLTA4HCHRM2CHRM1CHRM3
SCHEMBL27280958 0.82 HRH3 (0.55) LTA4HHRH3ALDH1A1
SCHEMBL3154073 0.81 EED (0.63) EEDCHRM4DRD2HTR7ALDH1A1
SCHEMBL29557686 0.80 POLB (0.60) EEDLTA4HCHRM4DRD2HTR7
Hydrochloric Acid SCHEMBL3637005 0.80 EED (0.61) EEDCHRM4DRD2HTR7ALDH1A1
SCHEMBL3347513 0.80 POLB (0.60) EEDLTA4HCHRM4DRD2HTR7
SCHEMBL30475090 0.79 POLB (0.59) EEDLTA4HCHRM4DRD2HTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8008302-B2 ((2S,3S) N,2-dihydroxy-5-methyl-3-{[4-(2-pyridinyl)-1-piperazinyl]carbonyl}hexanamide; for treatment and/or prevention of disorders related to autoimmune disorders and/or inflammatory diseases, cardiovascular diseases, neurodegenerative diseases, stroke, cancer, pre-term labor, endometriosis MERCK SERONO SA (CH) 2011-08-30 US disclosed
US-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
EP-1771421-B1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF SERONO LAB (CH) 2009-04-29 EP disclosed
WO-2008139941-A1 SUBSTITUTED IMIDAZOLE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-20 WO disclosed
US-20080021028-A1 N-Hydroxyamide Derivatives and Use Thereof APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2008-01-24 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 (3 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-20090156612-A1 Substituted imidazole compound and use thereof REN, ACE, AGT EED 3069/4885LTA4H 1197/4885CHRM4 3875/4885
US-20080021028-A1 N-Hydroxyamide Derivatives and Use Thereof HCAR2, HNMT, HPGD EED 3286/4885LTA4H 52/4885CHRM4 1486/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT EED 3069/4885LTA4H 1197/4885CHRM4 3875/4885

“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.