SCHEMBL1962875

SCHEMBL1962875

CS(=O)(=O)NC1CCc2cccc(N=C=S)c2C1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 9/20 0.40
MTNR1B P49286 9/20 0.40
CA1 P00915 4/20 0.40
CA2 P00918 4/20 0.40
ACHE P22303 3/20 0.40
CYP1A2 P05177 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALOX15 P16050 1/20 0.38
DRD2 P14416 3/20 0.36
HTR1D P28221 3/20 0.36
DRD3 P35462 3/20 0.36
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL14591375 0.78 CA1 (0.47) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL1963460 0.77 MTNR1A (0.47) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL14591347 0.77 CA1 (0.46) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL1963708 0.77 CA1 (0.49) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL7025995 0.72 DRD3 (0.46) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL7026001 0.72 DRD3 (0.46) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL28012408 0.72 CA1 (0.71) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL1964461 0.67 TRPV1 (0.33)
SCHEMBL22596508 0.66 SIGMAR1 (0.45) CYP1A2ALOX15ALDH1A1POLB
SCHEMBL29449648 0.66 SIGMAR1 (0.45) CYP1A2ALOX15ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1885704-B1 ANTAGONISTS OF THE VANILLOID RECEPTOR SUBTYPE 1 (VR1) AND USES THEREOF ABBOTT LAB (US) 2011-09-28 EP disclosed
US-20110144057-A1 ANTAGONISTS OF THE VANILLOID RECEPTOR SUBTYPE 1 (VR1) AND USE THEREOF ABBOTT LABORATORIES (US) 2011-06-16 US disclosed
US-7902236-B2 Antagonists of the vanilloid receptor subtype 1 (VR1) and use thereof ABBOTT LABORATORIES (US) 2011-03-08 US disclosed
US-20100010055-A1 ANTAGONISTS OF THE VANILLOID RECEPTOR SUBTYPE 1 (VR1) AND USE THEREOF ABBOTT LABORATORIES (US) 2010-01-14 US disclosed
US-7504520-B2 Antagonists of the vanilloid receptor subtype 1 (VR1) and use thereof ABBOTT LABORATORIES (US) 2009-03-17 US disclosed
US-20060281799-A1 Antagonists of the vanilloid receptor subtype 1 (VR1) and use thereof ABBVIE INC. 2006-12-14 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 (3 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-20060281799-A1 Antagonists of the vanilloid receptor subtype 1 (VR1) and use thereof TRPV1, TMEM109, CACNA1E MTNR1A 32/4885MTNR1B 51/4885CA1 2184/4885
US-20110144057-A1 ANTAGONISTS OF THE VANILLOID RECEPTOR SUBTYPE 1 (VR1) AND USE THEREOF TRPV1, TMEM109, CACNA1E MTNR1A 32/4885MTNR1B 51/4885CA1 2184/4885
US-20100010055-A1 ANTAGONISTS OF THE VANILLOID RECEPTOR SUBTYPE 1 (VR1) AND USE THEREOF TRPV1, TMEM109, CACNA1E MTNR1A 32/4885MTNR1B 51/4885CA1 2184/4885

“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.