SCHEMBL6708201

SCHEMBL6708201

Cc1cc(CC(N)=O)ccc1CN1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 5/20 0.48
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPK1 P28482 1/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MCHR1 Q99705 1/20 0.41
HRH3 Q9Y5N1 2/20 0.41
USP14 P54578 1/20 0.41

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
SCHEMBL6706722 0.89 ALDH1A1 (0.43) CYP2D6KDM4EALDH1A1HRH3
SCHEMBL6708212 0.86 L3MBTL1 (0.41) MAPK1KDM4EALDH1A1MCHR1HRH3
SCHEMBL6708231 0.84 ACHE (0.44) CYP2D6KDM4EALDH1A1MCHR1HRH3
SCHEMBL6704583 0.83 MCHR1 (0.45) KDM4EALDH1A1MCHR1HRH3
Hydrochloric Acid SCHEMBL6705586 0.82 MCHR1 (0.44) KDM4EALDH1A1MCHR1HRH3
SCHEMBL24732909 0.80 PRMT6 (0.56) GRIN2BCYP1A2CYP2D6MAPK1KDM4E
SCHEMBL29808844 0.80 PRMT6 (0.56) GRIN2BCYP1A2CYP2D6MAPK1KDM4E
SCHEMBL6223200 0.78 HRH3 (0.61) CYP2D6KDM4EALDH1A1HRH3
SCHEMBL6708203 0.78 ACHE (0.46) CYP1A2CYP2D6MAPK1KDM4EALDH1A1
SCHEMBL6708035 0.77 GRIN2B (0.42) GRIN2BKDM4EALDH1A1MCHR1

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 GRIN2B 1110/4885CYP1A2 749/4885CYP2D6 1590/4885

“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.