SCHEMBL863879

SCHEMBL863879

Brc1ccc2c(c1)CC1(CCCNCC1)O2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 5/20 0.45
HDAC4 P56524 5/20 0.45
HDAC1 Q13547 5/20 0.45
HDAC7 Q8WUI4 5/20 0.45
HDAC2 Q92769 5/20 0.45
HDAC10 Q969S8 5/20 0.45
HDAC11 Q96DB2 5/20 0.45
HDAC8 Q9BY41 5/20 0.45
HDAC6 Q9UBN7 5/20 0.45
HDAC9 Q9UKV0 5/20 0.45
HDAC5 Q9UQL6 5/20 0.45
HTR2C P28335 4/20 0.42
PNMT P11086 1/20 0.34
ASIC3 Q9UHC3 1/20 0.34
KDM4E B2RXH2 2/20 0.34
HTT P42858 1/20 0.33
ATM Q13315 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
OPRD1 P41143 1/20 0.33
AHR P35869 1/20 0.30

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
SCHEMBL863663 0.94 HTR2C (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL10502567 0.93 HTR2C (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL10502742 0.87 HDAC3 (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL10502741 0.87 HDAC3 (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10366330 0.85 KDM4E (0.44) HTR2CKDM4EHTTATMAHR
SCHEMBL10607243 0.85 KDM4E (0.44) HTR2CKDM4EHTTATMAHR
SCHEMBL5321592 0.82 HTR2C (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL25337824 0.82 HTR2C (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL863351 0.79 OPRD1 (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12569082 0.76 HDAC3 (0.38) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2440563-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF Sunovion Pharmaceuticals Inc. (US) 2012-04-18 EP disclosed
US-20120077802-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2012-03-29 US disclosed
US-20120077802-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2012-03-29 US disclosed
US-20120077802-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2012-03-29 US disclosed
WO-2010144571-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2010-12-16 WO 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-20120077802-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 HDAC3 637/4885HDAC4 807/4885HDAC1 720/4885

“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.