SCHEMBL5656583

SCHEMBL5656583

[c]1ccccc1OCN1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
CXCR1 P25024 1/20 0.37
TSHR P16473 2/20 0.37
SIGMAR1 Q99720 1/20 0.37
HRH3 Q9Y5N1 6/20 0.36
HRH1 P35367 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP2D6 P10635 1/20 0.36
HIF1A Q16665 1/20 0.36
KCNH2 Q12809 1/20 0.36
LTA4H P09960 2/20 0.36

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
SCHEMBL3960266 0.98 ALDH1A1 (0.37) ESR1ESR2CXCR1TSHRSIGMAR1
SCHEMBL2180083 0.83 TSHR (0.53) TSHRHRH1KDM4ESMN1; SMN2LTA4H
SCHEMBL11088044 0.83 MEN1 (0.41) ESR1ESR2TSHRSIGMAR1KDM4E
SCHEMBL3583393 0.82 HRH3 (0.54) HRH3HRH1KDM4EALDH1A1SMN1; SMN2
SCHEMBL956747 0.81 LTA4H (0.51) TSHRCYP2D6LTA4H
SCHEMBL8623642 0.80 ALDH1A1 (0.55) HRH3HRH1KDM4EALDH1A1SMN1; SMN2
SCHEMBL444425 0.73 CYP1A2 (0.31) SMN1; SMN2CYP2D6KCNH2
SCHEMBL3246677 0.72 ALDH1A1 (0.33) HRH1KDM4EALDH1A1SMN1; SMN2CYP2D6
SCHEMBL3154476 0.72 HRH3 (0.57) ESR1ESR2CXCR1TSHRHRH3
SCHEMBL3240661 0.71 ALDH1A1 (0.35) HRH3HRH1KDM4EALDH1A1SMN1; SMN2

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 ESR1 694/4885ESR2 549/4885CXCR1 480/4885
US-20040220247-A1 Substituted arylamides as IP antagonists INSR, PTGER1, INSRR ESR1 1953/4885ESR2 709/4885CXCR1 510/4885

“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.