SCHEMBL5656590

SCHEMBL5656590

[c]1ccc(OCN2CCCCC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.43
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
CXCR1 P25024 1/20 0.43
ATM Q13315 2/20 0.42
PSMB1 P20618 1/20 0.42
PSMB5 P28074 1/20 0.42
PSMB2 P49721 1/20 0.42
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
KCNH2 Q12809 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TSHR P16473 1/20 0.40
ACHE P22303 1/20 0.40
RAD52 P43351 1/20 0.40

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
SCHEMBL3951665 0.98 HRH3 (0.41) HRH3ESR1ESR2CXCR1ATM
SCHEMBL11088046 0.81 ESR1 (0.46) HRH3ESR1ESR2KCNH2TSHR
SCHEMBL188519 0.81 PSMB1 (0.65) HRH3PSMB1PSMB5PSMB2
SCHEMBL5114639 0.81 PSMB1 (0.65) HRH3PSMB1PSMB5PSMB2
SCHEMBL2180987 0.80 HRH3 (0.70) HRH3ATMKCNH2L3MBTL1ACHE
SCHEMBL3154476 0.80 HRH3 (0.57) HRH3ESR1ESR2CXCR1CYP2D6
SCHEMBL159557 0.79 PSMB1 (0.62) HRH3PSMB1PSMB5PSMB2
SCHEMBL3165031 0.78 HRH3 (0.67) HRH3KCNH2ACHERAD52
Hydrochloric Acid SCHEMBL7819689 0.78 PSMB1 (0.60) HRH3PSMB1PSMB5PSMB2
SCHEMBL12486958 0.78 LTA4H (0.58) HRH3ESR1ESR2CXCR1CYP2D6

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-7279498-B2 Substituted aryl amides as IP antagonists ROCHE PALO ALTO LLC (US) 2007-10-09 US disclosed
US-6998414-B2 Substituted arylamides as IP antagonists ROCHE PALO ALTO LLC (US) 2006-02-14 US disclosed
EP-1622611-A1 IMIDAZOLIN-2-YLAMINOPHENYL AMIDES AS IP ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-02-08 EP disclosed
US-20060004075-A1 Substituted aryl amides as IP antagonists ROCHE PALO ALTO LLC 2006-01-05 US disclosed
WO-2004096213-A1 IMIDAZOLIN-2-YLAMINOPHENYL AMIDES AS IP ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-11-11 WO disclosed
US-20040220247-A1 Substituted arylamides as IP antagonists ROCHE PALO ALTO LLC 2004-11-04 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 (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-20060004075-A1 Substituted aryl amides as IP antagonists INSR, INSRR, GIPR HRH3 41/4885ESR1 694/4885ESR2 549/4885
US-20040220247-A1 Substituted arylamides as IP antagonists INSR, PTGER1, INSRR HRH3 31/4885ESR1 1953/4885ESR2 709/4885

“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.