SCHEMBL6706722

SCHEMBL6706722

Cc1cc(CN2CCCC2)ccc1CC(N)=O

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
HIF1A Q16665 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HRH3 Q9Y5N1 4/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
PRMT6 Q96LA8 1/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HTT P42858 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
SCHEMBL6708201 0.89 GRIN2B (0.48) ALDH1A1CYP2D6KDM4EHRH3
SCHEMBL6708041 0.83 MCHR1 (0.50) ALDH1A1CYP2D6CYP2C9HIF1AHRH3
SCHEMBL6708138 0.79 L3MBTL1 (0.50) ALDH1A1KDM4EPOLBSMN1; SMN2HTT
SCHEMBL6704481 0.78 MCHR1 (0.43) ALDH1A1CYP2D6CYP2C9HIF1AKDM4E
SCHEMBL6223200 0.78 HRH3 (0.61) ALDH1A1CYP2D6KDM4EHRH3HDAC1
SCHEMBL6706724 0.78 ALDH1A1 (0.49) ALDH1A1KDM4EHRH3PRMT6POLB
SCHEMBL6708212 0.77 L3MBTL1 (0.41) ALDH1A1KDM4EHRH3HDAC1HDAC8
SCHEMBL28610633 0.76 PRMT6 (0.63) ALDH1A1CYP2D6CYP2C9HIF1AKDM4E
SCHEMBL4840236 0.76 CYP2D6 (0.46) ALDH1A1CYP2D6CYP2C9HIF1APRMT6
SCHEMBL6708231 0.75 ACHE (0.44) ALDH1A1CYP2D6CYP2C9HIF1AKDM4E

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-20040242572-A1 New carboxamide compounds having melanin concentrating hormone antagonistic activity, pharmaceutical preparations comprising these compounds and process for their manufacture BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-12-02 US claimed
US-20040242572-A1 New carboxamide compounds having melanin concentrating hormone antagonistic activity, pharmaceutical preparations comprising these compounds and process for their manufacture BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-12-02 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-20040242572-A1 New carboxamide compounds having melanin concentrating hormone antagonistic activity, pharmaceutical preparations comprising these compounds and process for their manufacture MCHR2, MCHR1, NPY1R ALDH1A1 3363/4885CYP2D6 1590/4885CYP2C9 1784/4885

“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.