SCHEMBL6467063

SCHEMBL6467063

[CH2]CCCOc1cccc(C#N)c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.52
HRH1 P35367 1/20 0.44
CCR3 P51677 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
KCNA3 P22001 1/20 0.41
PRSS1 P07477 2/20 0.41
F2 P00734 1/20 0.41
PLG P00747 1/20 0.41
PRSS2 P07478 1/20 0.41
C1S P09871 1/20 0.41
PRSS3 P35030 1/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40

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
SCHEMBL7088226 0.93 TBXAS1 (0.50) TBXAS1HRH1CCR3KCNA3PRSS1
SCHEMBL74120 0.91 TBXAS1 (0.54) TBXAS1HRH1CCR3SMN1; SMN2SLC6A2
SCHEMBL7388461 0.87 TBXAS1 (0.56) TBXAS1HRH1CCR3KCNA3PRSS1
SCHEMBL688706 0.84 TBXAS1 (0.54) TBXAS1HRH1CCR3SMN1; SMN2CYP11B1
SCHEMBL535547 0.84 TBXAS1 (0.49) TBXAS1SMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL10051067 0.83 TBXAS1 (0.52) TBXAS1HRH1CCR3SMN1; SMN2CYP11B1
SCHEMBL3903556 0.83 TBXAS1 (0.52) TBXAS1HRH1CCR3PRSS1F2
SCHEMBL690259 0.83 TBXAS1 (0.52) TBXAS1HRH1CCR3KCNA3PRSS1
SCHEMBL689001 0.83 TBXAS1 (0.52) TBXAS1HRH1CCR3SMN1; SMN2PRSS1
SCHEMBL1070542 0.83 CYP11B1 (0.55) TBXAS1HRH1CCR3CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050107468-A1 Process for the preparation of an enantiomerically enriched thio compound DSM IP ASSETS B.V. (NL) 2005-05-19 US disclosed
EP-1453797-A1 PROCESS FOR THE PREPARATION OF AN ENANTIOMERICALLY ENRICHED THIO COMPOUND DSM IP Assets B.V. (NL) 2004-09-08 EP disclosed
EP-1325908-A1 Process for the preparation of an enantiomerically enriched thio compound DSM N.V. (NL) 2003-07-09 EP disclosed
WO-2003051827-A1 PROCESS FOR THE PREPARATION OF AN ENANTIOMERICALLY ENRICHED THIO COMPOUND DSM IP ASSETS B.V. (NL) 2003-06-26 WO disclosed
US-20030008832-A1 Method of inhibiting neoplastic cells with benzimidazole derivatives OSI PHARMACEUTICALS, INC. 2003-01-09 US disclosed
EP-0779887-B1 NOVEL BENZIMIDAZOLE DERIVATIVES HAVING CGMP-PHOSPHODIESTERASE INHIBITING ACTIVITY OTSUKA PHARMA CO LTD (JP) 2001-05-23 EP disclosed
US-5998437-A ARTERIOSCLEROSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1999-12-07 US disclosed
WO-1997003070-A1 NOVEL BENZIMIDAZOLE DERIVATIVES HAVING CGMP-PHOSPHODISTERASE INHIBITING ACTIVITY OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-01-30 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-20030008832-A1 Method of inhibiting neoplastic cells with benzimidazole derivatives MKI67, CCNI, TMBIM6 TBXAS1 987/4885HRH1 2169/4885CCR3 4500/4885
US-20050107468-A1 Process for the preparation of an enantiomerically enriched thio compound SLC7A1, TCP1, TFRC TBXAS1 1883/4885HRH1 749/4885CCR3 2584/4885

“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.