SCHEMBL13623729

SCHEMBL13623729

COc1ccc(C[C@H](N)CS)cc1C

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ANPEP P15144 4/20 0.44
▸ SIGMAR1 Q99720 2/20 0.44
▸ SCN4A P35499 1/20 0.43
▸ CRHBP P24387 1/20 0.42
▸ CRHR2 Q13324 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ ENPEP Q07075 3/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ LTA4H P09960 1/20 0.41

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
SCHEMBL13623723 0.84 SIGMAR1 (0.47) SIGMAR1SCN4ACRHBPCRHR2SMN1; SMN2
SCHEMBL13623727 0.84 SIGMAR1 (0.44) SIGMAR1SCN4ACRHBPCRHR2SMN1; SMN2
SCHEMBL13623724 0.83 SIGMAR1 (0.43) SIGMAR1SCN4ACRHBPCRHR2SMN1; SMN2
SCHEMBL15342270 0.81 SLC6A4 (0.55) —
SCHEMBL9765336 0.81 SLC6A4 (0.55) —
Hydrochloric Acid SCHEMBL11209663 0.80 SLC6A4 (0.53) —
SCHEMBL28758239 0.79 LDHA (0.50) SIGMAR1ALOX15ALOX12
SCHEMBL14040059 0.79 ANPEP (0.41) ANPEPSIGMAR1ENPEPALOX15ALOX12
SCHEMBL14039993 0.79 ANPEP (0.41) ANPEPSIGMAR1ENPEPALOX15ALOX12
SCHEMBL20386033 0.79 ALOX15 (0.50) CRHBPCRHR2SMN1; SMN2ALOX15ALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7619116-B2 Intermediates for the synthesis of (R)-tamsulosin and of its pharmaceutically acceptable salts and process for their preparation Products Chimiques Auxiliaires Et de Synthese (FR) 2009-11-17 — — US disclosed
US-20070106079-A1 Novel intermediates for the synthesis of (r)-tamsulosin and of its pharmaceutically acceptable salts and process for their preparation PRODUITS CHIMIQUES AUXILIAIRES ET DE SYNTHESE (FR) 2007-05-10 — — US 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-20070106079-A1 Novel intermediates for the synthesis of (r)-tamsulosin and of its pharmaceutically acceptable salts and process for their preparation ADRB1, AVPR2, ADRA1A ANPEP 724/4885SIGMAR1 959/4885SCN4A 1380/4885

“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.

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