SCHEMBL4479034

SCHEMBL4479034

OCCn1ncc2cc(I)ccc21

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMO O15229 6/20 0.46
GLS O94925 1/20 0.41
HTR2A P28223 2/20 0.40
HTR2C P28335 2/20 0.40
HTR2B P41595 1/20 0.40
CYP1A2 P05177 1/20 0.37
NR3C1 P04150 1/20 0.37
MET P08581 1/20 0.36
SYK P43405 3/20 0.35
MAOB P27338 2/20 0.35
MAOA P21397 1/20 0.34
P2RX7 Q99572 1/20 0.34
RECQL P46063 1/20 0.33

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
SCHEMBL29804486 0.80 KMO (0.52) KMOGLSHTR2AHTR2CHTR2B
SCHEMBL15447295 0.80 KMO (0.52) KMOGLSHTR2AHTR2CHTR2B
SCHEMBL13607689 0.80 KMO (0.52) KMOGLSHTR2AHTR2CHTR2B
SCHEMBL2925874 0.80 CHEK1 (0.50) KMOGLSHTR2AHTR2CHTR2B
SCHEMBL384710 0.78 MCHR1 (0.50)
SCHEMBL27782210 0.77 KMO (0.44) KMOGLSHTR2AHTR2CHTR2B
SCHEMBL2961954 0.76 HDAC3 (0.52) MET
SCHEMBL21057768 0.75 HTR2A (0.52) KMOGLSHTR2AHTR2CHTR2B
SCHEMBL14578726 0.75 KMO (0.65) KMOHTR2AHTR2CHTR2BCYP1A2
SCHEMBL31429458 0.75 KMO (0.65) KMOHTR2AHTR2CHTR2BCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7592358-B2 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-22 US disclosed
US-20050234101-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-20 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 (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-20050234101-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, GPR119, MCHR2 KMO 1018/4885GLS 2931/4885HTR2A 161/4885

“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.