SCHEMBL6227622

SCHEMBL6227622

N#CC1c2ccccc2CCC1Br

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.41
PDPK1 O15530 1/20 0.41
CYP11B2 P19099 1/20 0.39
MAOA P21397 3/20 0.38
MAOB P27338 3/20 0.38
HTR6 P50406 2/20 0.38
BCHE P06276 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
ACHE P22303 1/20 0.38
ADRA1A P35348 1/20 0.38
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
FADS1 O60427 1/20 0.36
RET P07949 1/20 0.35
HTR2A P28223 1/20 0.35

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
SCHEMBL10505019 0.80 IDO1 (0.42) IDO1PDPK1CYP11B2MAOAMAOB
SCHEMBL9183567 0.75 CYP11B2 (0.53) IDO1PDPK1CYP11B2MAOAMAOB
Bicarbonate SCHEMBL11600214 0.73 PIN1 (0.40) IDO1PDPK1CYP11B2MAOAMAOB
SCHEMBL1697825 0.73 IDO1 (0.46) IDO1PDPK1CYP11B2MAOAMAOB
Hydrochloric Acid SCHEMBL20843623 0.72 IDO1 (0.47) IDO1PDPK1CYP11B2MAOAMAOB
SCHEMBL4139877 0.72 IDO1 (0.44) IDO1PDPK1CYP11B2HTR6
SCHEMBL13198513 0.72 DRD2 (0.50) IDO1PDPK1CYP11B2MAOAMAOB
SCHEMBL4139874 0.72 IDO1 (0.44) IDO1PDPK1CYP11B2HTR6
SCHEMBL4139879 0.72 IDO1 (0.44) IDO1PDPK1CYP11B2HTR6
SCHEMBL18242239 0.72 IDO1 (0.44) IDO1PDPK1CYP11B2HTR6CA1

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
US-20050182269-A1 Process for the preparation of 3-cyano-1-naphthoic acid and some analogues thereof ASTRAZENECA AB (SE) 2005-08-18 US disclosed
EP-1517884-A1 A PROCESS FOR THE PREPARATION OF 3-CYANO-1-NAPHTHOIC ACID AND SOME ANALOGUES THEREOF AstraZeneca AB (SE) 2005-03-30 EP disclosed
WO-2004000792-A1 A PROCESS FOR THE PREPARATION OF 3-CYANO-1-NAPHTHOIC ACID AND SOME ANALOGUES THEREOF ASTRAZENECA AB (SE) 2003-12-31 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-20050182269-A1 Process for the preparation of 3-cyano-1-naphthoic acid and some analogues thereof CYP8B1, CYP51A1, NISCH IDO1 823/4885PDPK1 2415/4885CYP11B2 431/4885

“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.