SCHEMBL3602019

SCHEMBL3602019

O=C(O)N1CCN(CC2CCOCC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 1/20 0.49
THRB P10828 3/20 0.41
GBA1 P04062 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 2/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
CACNA2D1 P54289 2/20 0.39
CACNA1B Q00975 2/20 0.39
CACNB1 Q02641 2/20 0.39
CACNA1C Q13936 1/20 0.39
NAMPT P43490 2/20 0.39
HRH3 Q9Y5N1 1/20 0.37
GAA P10253 1/20 0.36

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
SCHEMBL3825062 0.87 SMN1; SMN2 (0.44) SMN1; SMN2CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL4321277 0.83 SMN1; SMN2 (0.54) SMN1; SMN2CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL209863 0.83 SMN1; SMN2 (0.50) SMN1; SMN2CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL18909105 0.81 TACR2 (0.49) TACR2THRBGBA1HSD17B10ALOX15
SCHEMBL19275201 0.81 TACR2 (0.49) TACR2THRBGBA1SMN1; SMN2HSD17B10
SCHEMBL4668202 0.80 SMN1; SMN2 (0.47) THRBSMN1; SMN2CACNA2D1CACNA1BCACNB1
SCHEMBL4475140 0.79 CACNA2D1 (0.58) GBA1SMN1; SMN2TSHRCACNA2D1CACNA1B
SCHEMBL27571743 0.79 CACNA2D1 (0.58) SMN1; SMN2CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL22030492 0.78 TACR2 (0.46) TACR2THRBGBA1HSD17B10ALOX15
SCHEMBL24585267 0.77 TACR2 (0.46) TACR2THRBHSD17B10ALOX15TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7825112-B2 2-carbamide-4-phenylthiazole derivatives, preparation thereof and therapeutic use thereof SANOFI-AVENTIS (FR) 2010-11-02 US claimed
US-20090018117-A1 2-CARBAMIDE-4-PHENYLTHIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-01-15 US claimed
US-7825112-B2 2-carbamide-4-phenylthiazole derivatives, preparation thereof and therapeutic use thereof SANOFI-AVENTIS (FR) 2010-11-02 US disclosed
US-20090018117-A1 2-CARBAMIDE-4-PHENYLTHIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-01-15 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-20090018117-A1 2-CARBAMIDE-4-PHENYLTHIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF PKD2, QPCT, CCNT2 TACR2 107/4885THRB 2452/4885GBA1 958/4885

“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.