SCHEMBL6704583

SCHEMBL6704583

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

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.45
TSHR P16473 1/20 0.42
GFER P55789 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
TNIK Q9UKE5 1/20 0.42
ACHE P22303 4/20 0.40
BCHE P06276 3/20 0.40
CCR5 P51681 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
ALDH1A1 P00352 1/20 0.39
GAA P10253 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.38
RAB9A P51151 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
Hydrochloric Acid SCHEMBL6705586 0.99 MCHR1 (0.44) MCHR1TSHRGFERHDAC1HDAC8
SCHEMBL6708041 0.89 MCHR1 (0.50) MCHR1HDAC1HDAC8HDAC6TNIK
SCHEMBL6224858 0.86 CA2 (0.38) MCHR1ALDH1A1KDM4E
SCHEMBL6708231 0.84 ACHE (0.44) MCHR1HDAC1HDAC8HDAC6ACHE
SCHEMBL6708212 0.83 L3MBTL1 (0.41) MCHR1TSHRHDAC1HDAC8HDAC6
SCHEMBL6708201 0.83 GRIN2B (0.48) MCHR1HRH3ALDH1A1KDM4E
SCHEMBL6223200 0.78 HRH3 (0.61) HDAC1HDAC8HDAC6TNIKHRH3
SCHEMBL6221276 0.78 ACHE (0.46) MCHR1TSHRGFERACHEBCHE
SCHEMBL6708035 0.77 GRIN2B (0.42) MCHR1ACHEBCHEALDH1A1KDM4E
Hydrochloric Acid SCHEMBL6705591 0.77 ACHE (0.45) MCHR1TSHRGFERACHEBCHE

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 MCHR1 2/4885TSHR 85/4885GFER 3664/4885

“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.