SCHEMBL6556500

SCHEMBL6556500

COc1ccc(C#N)cc1CCN

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.60
ADRA1A P35348 1/20 0.60
HTR2A P28223 2/20 0.49

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
SCHEMBL25809439 0.87 TAAR1 (0.51) TAAR1ADRA1AHTR2A
SCHEMBL27758116 0.83 SLC6A4 (0.47) TAAR1ADRA1AHTR2A
SCHEMBL931667 0.81 SLC6A4 (0.50) TAAR1HTR2A
SCHEMBL1714771 0.80 IDO1 (0.60) HTR2A
SCHEMBL15174546 0.80 TSHR (0.49) HTR2A
SCHEMBL7666659 0.79 SLC6A4 (0.49) HTR2A
SCHEMBL17224522 0.79 SLC6A4 (0.52) HTR2A
SCHEMBL21891006 0.79 SLC6A4 (0.49) HTR2A
SCHEMBL27758118 0.79 SLC6A4 (0.49) HTR2A
SCHEMBL7363416 0.79 SLC6A4 (0.49) HTR2A

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
EP-1390357-A2 ANTI-THROMBOTIC COMPOUNDS, PRODUCTION AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2004-02-25 EP disclosed
US-20020151534-A1 Antithrombotic compounds BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-10-17 US disclosed
WO-2002062778-A2 ANTI-THROMBOTIC COMPOUNDS, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-08-15 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 (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-20020151534-A1 Antithrombotic compounds SERPINC1, PF4, F2 TAAR1 2472/4885ADRA1A 1117/4885HTR2A 659/4885

“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.