SCHEMBL6708231

SCHEMBL6708231

NC(=O)Cc1ccc(CN2CCCC2)c(N)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
KDM4E B2RXH2 4/20 0.43
GAA P10253 1/20 0.43
ALDH1A1 P00352 3/20 0.42
MCHR1 Q99705 1/20 0.42
BCHE P06276 3/20 0.41
HRH3 Q9Y5N1 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
CA2 P00918 1/20 0.39
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
HIF1A Q16665 1/20 0.38

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 0.84 GRIN2B (0.48) KDM4EALDH1A1MCHR1HRH3CYP2D6
SCHEMBL6704583 0.84 MCHR1 (0.45) ACHEHDAC1HDAC8HDAC6KDM4E
SCHEMBL6708212 0.84 L3MBTL1 (0.41) ACHEHDAC1HDAC8HDAC6KDM4E
Hydrochloric Acid SCHEMBL6705586 0.83 MCHR1 (0.44) ACHEHDAC1HDAC8HDAC6KDM4E
SCHEMBL6223200 0.79 HRH3 (0.61) HDAC1HDAC8HDAC6KDM4EALDH1A1
SCHEMBL6708035 0.78 GRIN2B (0.42) ACHEKDM4EALDH1A1MCHR1BCHE
SCHEMBL28610633 0.77 PRMT6 (0.63) KDM4EGAAALDH1A1HRH3SMN1; SMN2
SCHEMBL6708235 0.77 ALDH1A1 (0.50) ACHEKDM4EALDH1A1BCHEHRH3
SCHEMBL6224393 0.76 HRH3 (0.55) HDAC1HDAC8HDAC6KDM4EGAA
SCHEMBL28126426 0.76 CA2 (0.47) KDM4EGAAALDH1A1CA2

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 1 patent. 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 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 ACHE 3666/4885HDAC1 2047/4885HDAC8 2731/4885

“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.