SCHEMBL3708449

SCHEMBL3708449

O=C(O)Cc1ccc(CN2CCCC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.63
HDAC1 Q13547 1/20 0.57
HDAC8 Q9BY41 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
HRH4 Q9H3N8 1/20 0.57
ALDH1A1 P00352 3/20 0.55
ITGB3 P05106 2/20 0.55
ITGA2B P08514 2/20 0.55
KDM4E B2RXH2 2/20 0.55
MBTD1 Q05BQ5 1/20 0.53
L3MBTL3 Q96JM7 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
CYP2D6 P10635 2/20 0.52
CYP2C19 P33261 1/20 0.52
TNIK Q9UKE5 1/20 0.51
NCF1 P14598 1/20 0.50
CYP2C9 P11712 1/20 0.50
HIF1A Q16665 1/20 0.50

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 SCHEMBL3715506 0.98 HRH3 (0.61) HRH3HDAC1HDAC8HDAC6HRH4
SCHEMBL9943874 0.98 HRH3 (0.67) HRH3HDAC1HDAC8HDAC6HRH4
SCHEMBL8510915 0.85 ITGB3 (0.56) HRH3HDAC1ALDH1A1ITGB3ITGA2B
SCHEMBL8745021 0.85 SIGMAR1 (0.65) HRH3ALDH1A1ITGB3ITGA2BKDM4E
SCHEMBL5477508 0.84 SMN1; SMN2 (0.63) HRH3ALDH1A1ITGB3ITGA2BKDM4E
SCHEMBL8745033 0.84 ITGB3 (0.55) HRH3HDAC1ALDH1A1ITGB3ITGA2B
SCHEMBL3693072 0.84 HRH3 (0.62) HRH3HDAC1HDAC8HDAC6HRH4
SCHEMBL5304957 0.84 MC4R (0.62) HRH3HDAC6ALDH1A1ITGB3ITGA2B
SCHEMBL6223200 0.83 HRH3 (0.61) HRH3HDAC1HDAC8HDAC6HRH4
SCHEMBL16121966 0.82 CHKA (0.75) HRH3KDM4ENCF1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010094643-A1 QUINOLINE DERIVATIVES AND THEIR USES FOR RHINITIS AND URTICARIA GLAXO GROUP LIMITED (GB) 2010-08-26 WO disclosed
EP-1916239-A1 PYRIDONE COMPOUND BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-04-30 EP disclosed
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 254/4885HDAC1 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.