SCHEMBL4704448

SCHEMBL4704448

N#Cc1cc(CN)c2ccccc2c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
HTR2A P28223 1/20 0.46
XDH P47989 1/20 0.40
SLC22A12 Q96S37 1/20 0.40
LOXL2 Q9Y4K0 3/20 0.39
ADRA2C P18825 1/20 0.36
ENPP3 O14638 1/20 0.36
KDM2B Q8NHM5 1/20 0.36
TSHR P16473 1/20 0.35
CYP1A1 P04798 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP1B1 Q16678 1/20 0.35
CYP2A6 P11509 1/20 0.34
CLK1 P49759 1/20 0.34
DYRK1A Q13627 1/20 0.34

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
SCHEMBL2769773 0.84 CA1 (0.51) CA1CA2XDHSLC22A12ENPP3
SCHEMBL2771819 0.82 CA1 (0.50) CA1CA2HTR2AXDHSLC22A12
SCHEMBL5167001 0.82 CA1 (0.50) CA1CA2HTR2AXDHSLC22A12
SCHEMBL15345572 0.81 CA1 (0.49) CA1CA2HTR2ALOXL2ADRA2C
SCHEMBL27663210 0.79 CA1 (0.47) CA1CA2HTR2AXDHSLC22A12
SCHEMBL4161556 0.79 CA1 (0.47) CA1CA2HTR2AXDHSLC22A12
SCHEMBL15356390 0.78 KDM4E (0.48) CA1CA2XDHSLC22A12TSHR
SCHEMBL4078176 0.76 CA1 (0.55) CA1CA2HTR2AXDHSLC22A12
SCHEMBL29482237 0.73 CA1 (0.56) CA1CA2XDHSLC22A12ENPP3
SCHEMBL819485 0.73 CA1 (0.56) CA1CA2XDHSLC22A12ENPP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2657214-B1 PROCESS FOR PRODUCTION OF AROMATIC ALCOHOL OR HETEROCYCLIC AROMATIC ALCOHOL MITSUBISHI GAS CHEMICAL CO (JP) 2017-02-15 EP disclosed
US-8993774-B2 Process for production of aromatic alcohol or heterocyclic aromatic alcohol MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2015-03-31 US disclosed
US-20130303775-A1 PROCESS FOR PRODUCTION OF AROMATIC ALCOHOL OR HETEROCYCLIC AROMATIC ALCOHOL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2013-11-14 US disclosed
EP-2657214-A1 PROCESS FOR PRODUCTION OF AROMATIC ALCOHOL OR HETEROCYCLIC AROMATIC ALCOHOL Mitsubishi Gas Chemical Company, Inc. (JP) 2013-10-30 EP disclosed
US-20080262041-A1 Beta-Lactams for Treatment of Cns Disorders GLAXO GROUP LIMITED (GB) 2008-10-23 US disclosed
EP-1689737-B1 BETA-LACTAMS FOR THE TREATMENT OF CNS DISORDERS GLAXO GROUP LTD (GB) 2008-07-16 EP disclosed
CN-1878764-A Beta-lactams for treatment of cns disorders GLAXO GROUP LTD (GB) 2006-12-13 CN 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 (2 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-20080262041-A1 Beta-Lactams for Treatment of Cns Disorders SLC7A1, TPH1, CHRNA10 CA1 1918/4885CA2 2390/4885HTR2A 121/4885
US-20130303775-A1 PROCESS FOR PRODUCTION OF AROMATIC ALCOHOL OR HETEROCYCLIC AROMATIC ALCOHOL ADH1C, ADH1A, ADH5 CA1 3962/4885CA2 3510/4885HTR2A 700/4885

“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.