SCHEMBL6182740

SCHEMBL6182740

[CH2]c1cccc(C2=CCCC2)c1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 2/20 0.42
HTR1A P08908 10/20 0.36
SERPINE1 P05121 1/20 0.35
PPARA Q07869 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HTR2C P28335 2/20 0.34
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL3233008 0.94 ACMSD (0.44) ACMSDHTR1ASERPINE1HDAC3HDAC1
SCHEMBL20567911 0.77 CHRNB4 (0.46) ACMSDHTR1AHDAC1HDAC2
SCHEMBL18905493 0.77 ACMSD (0.42) ACMSDHTR1ASERPINE1PPARAHDAC3
SCHEMBL968176 0.77 CHRNB4 (0.46) ACMSDHTR1ASERPINE1
SCHEMBL5269419 0.77 ACMSD (0.50) ACMSDSERPINE1
SCHEMBL14533693 0.77 HTR2C (0.57) ACMSDSERPINE1HTR2C
SCHEMBL360448 0.77 ACMSD (0.47) ACMSDPPARAHTR2CTDP1
SCHEMBL28772109 0.75 PDE3B (0.44) ACMSDSERPINE1HDAC1HDAC2TDP1
SCHEMBL28198126 0.74 CHRNB4 (0.31)
SCHEMBL5383499 0.73 CHRNB4 (0.50) ACMSDHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1499594-B1 PROCESS FOR THE PREPARATION OF 7-SUBSTITUTED-3-QUINOLINE AND 3-QUINOL-4-ONE CARBONITRILES WYETH CORP (US) 2005-08-17 EP claimed
EP-1499594-A1 PROCESS FOR THE PREPARATION OF 7-SUBSTITUTED-3-QUINOLINE AND 3-QUINOL-4-ONE CARBONITRILES Wyeth Holdings Corporation (US) 2005-01-26 EP claimed
US-6780996-B2 KINASE INHIBITORS; ANTICANCER AGENTS WYETH HOLDINGS CORPORATION 2004-08-24 US claimed
US-20030212276-A1 Process for the preparation of 7-substituted-3 quinolinecarbonitriles WYETH HOLDINGS CORPORATION 2003-11-13 US claimed
WO-2003093241-A1 PROCESS FOR THE PREPARATION OF 7-SUBSTITUTED-3-QUINOLINE AND 3-QUINOL-4-ONE CARBONITRILES WYETH HOLDINGS CORPORATION (US) 2003-11-13 WO claimed
CN-1319962-C 3-(cyclopenten-1-yl)-benzyl- or 3-(cyclopenten-1-yl)-heteroarylmethyl-amine derivatives and use thereof as medicines for treating schizophrenia PF MEDICAMENT (FR) 2007-06-06 CN disclosed
EP-1499594-B1 PROCESS FOR THE PREPARATION OF 7-SUBSTITUTED-3-QUINOLINE AND 3-QUINOL-4-ONE CARBONITRILES WYETH CORP (US) 2005-08-17 EP disclosed
EP-1551821-A1 3-(CYCLOPENTEN-1-YL)-BENZYL- OR 3-(CYCLOPENTEN-1-YL)-HETEROARYLMETHYL-AMINE DERIVATIVES AND USE THEREOF AS MEDICINES FOR TREATING SCHIZOPHRENIA PIERRE FABRE MEDICAMENT (FR) 2005-07-13 EP disclosed
EP-1499594-A1 PROCESS FOR THE PREPARATION OF 7-SUBSTITUTED-3-QUINOLINE AND 3-QUINOL-4-ONE CARBONITRILES Wyeth Holdings Corporation (US) 2005-01-26 EP disclosed
US-6780996-B2 KINASE INHIBITORS; ANTICANCER AGENTS WYETH HOLDINGS CORPORATION 2004-08-24 US disclosed
WO-2004035561-A1 3-(CYCLOPENTEN-1-YL)-BENZYL- OR 3-(CYCLOPENTEN-1-YL)-HETEROARYLMETHYL-AMINE DERIVATIVES AND USE THEREOF AS MEDICINES FOR TREATING SCHIZOPHRENIA PIERRE FABRE MEDICAMENT (FR) 2004-04-29 WO disclosed
US-20030212276-A1 Process for the preparation of 7-substituted-3 quinolinecarbonitriles WYETH HOLDINGS CORPORATION 2003-11-13 US disclosed
WO-2003093241-A1 PROCESS FOR THE PREPARATION OF 7-SUBSTITUTED-3-QUINOLINE AND 3-QUINOL-4-ONE CARBONITRILES WYETH HOLDINGS CORPORATION (US) 2003-11-13 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-20030212276-A1 Process for the preparation of 7-substituted-3 quinolinecarbonitriles MAP4K2, MAP3K7, MAP4K1 ACMSD 4607/4885HTR1A 3350/4885SERPINE1 2539/4885

“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.