SCHEMBL3928701

SCHEMBL3928701

CCC([O])C1CCNCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPN1 P15169 1/20 0.39
CPB2 Q96IY4 1/20 0.39
SLC6A2 P23975 9/20 0.33
SLC6A4 P31645 9/20 0.33
SLC6A3 Q01959 9/20 0.33
OPRD1 P41143 1/20 0.33
KCNH2 Q12809 1/20 0.31
GABRA1 P14867 2/20 0.31
TSHR P16473 2/20 0.31
GABRG2 P18507 2/20 0.31
GABRB3 P28472 2/20 0.31
GABRA5 P31644 2/20 0.31
GABRA3 P34903 2/20 0.31
GABRA2 P47869 2/20 0.31
GABRA6 Q16445 2/20 0.31
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRB2 P47870 1/20 0.31
GABRA4 P48169 1/20 0.31

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
SCHEMBL3936318 0.86
SCHEMBL27517189 0.82 CPN1 (0.37) CPN1CPB2SLC6A2SLC6A4SLC6A3
SCHEMBL132761 0.82
SCHEMBL919943 0.77
SCHEMBL841433 0.77
SCHEMBL10272804 0.75 CPN1 (0.38) CPN1CPB2SLC6A2SLC6A4SLC6A3
SCHEMBL3924939 0.75
SCHEMBL1240650 0.75 SHBG (0.56) PMP22SHBGLMNA
SCHEMBL919505 0.75 SHBG (0.56) PMP22SHBGLMNA
SCHEMBL3665028 0.75 CPN1 (0.38) CPN1CPB2SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009007390-A2 2-PYRAZ INYLBENZ IMIDAZOLE DERIVATIVES AS RECEPTOR TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2009-01-15 WO disclosed
EP-1569638-B1 AMINOALKOXYINDOLES AS 5-HT6-RECEPTOR LIGANDS FOR THE TREATMENT OF CNS-DISORDERS HOFFMANN LA ROCHE (CH) 2007-09-05 EP disclosed
US-7084169-B2 Aminoalkoxyindoles and methods of use ROCHE PALO ALTO LLC (US) 2006-08-01 US disclosed
EP-1569638-A1 AMINOALKOXYINDOLES AS 5-HT6-RECEPTOR LIGANDS FOR THE TREATMENT OF CNS-DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2005-09-07 EP disclosed
US-20050054662-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB (SE) 2005-03-10 US disclosed
EP-1444211-A2 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS AstraZeneca AB (SE) 2004-08-11 EP disclosed
US-20040132799-A1 Aminoalkoxyindoles and methods of use ROCHE PALO ALTO LLC (US) 2004-07-08 US disclosed
WO-2004050085-A1 AMINOALKOXYINDOLES AS 5-HT6-RECEPTOR LIGANDS FOR THE TREATMENT OF CNS-DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2004-06-17 WO disclosed
WO-2003040109-A2 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2003-05-15 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 (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-20050054662-A1 Quinazoline derivatives as antitumor agents ERBB2, ERBB3, ABL1 CPN1 3159/4885CPB2 4511/4885SLC6A2 4013/4885
US-20040132799-A1 Aminoalkoxyindoles and methods of use HTR3C, HTR2C, CYP3A5 CPN1 1181/4885CPB2 1816/4885SLC6A2 161/4885

“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.