SCHEMBL6706752

SCHEMBL6706752

NC(=O)Cc1ccc(CN2CCCC2)cn1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.46
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ATM Q13315 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNA4 P43681 1/20 0.43
CHEK1 O14757 1/20 0.42
ACHE P22303 1/20 0.42
KDM4E B2RXH2 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRK1 P41145 1/20 0.41
HRH4 Q9H3N8 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
SCHEMBL6705583 0.88 HRH3 (0.46) HRH3ALDH1A1CYP1A2CYP2D6HDAC1
SCHEMBL3317696 0.83 HRH3 (0.59) HRH3ALDH1A1MEN1KMT2AATM
SCHEMBL6223200 0.79 HRH3 (0.61) HRH3ALDH1A1CYP2D6HDAC1HDAC8
SCHEMBL6706759 0.77 HRH3 (0.55) HRH3ALDH1A1CYP1A2CYP2D6CHRNB2
SCHEMBL23530205 0.76 HRH3 (0.47) HRH3ALDH1A1MEN1KMT2AATM
SCHEMBL20356732 0.76 HRH3 (0.62) HRH3ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL6705824 0.76 CA2 (0.42)
SCHEMBL17501361 0.76 CA2 (0.42) HDAC6
SCHEMBL6224393 0.76 HRH3 (0.55) HRH3ALDH1A1HDAC1HDAC8HDAC6
SCHEMBL25728960 0.75 CYP1A2 (0.63) HRH3ALDH1A1MEN1KMT2ACYP1A2

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 HRH3 254/4885ALDH1A1 3363/4885MEN1 995/4885

“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.