SCHEMBL2961611

SCHEMBL2961611

CC(C)(C)OC(=O)N1CCN(CC2CCCCN2C(=O)OCc2ccccc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 4/20 0.50
SIGMAR1 Q99720 4/20 0.50
PARP1 P09874 1/20 0.50
HRH3 Q9Y5N1 2/20 0.46
OPRK1 P41145 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
FKBP1A P62942 1/20 0.46
HTT P42858 1/20 0.45
PDK1 Q15118 1/20 0.45
PDK2 Q15119 1/20 0.45
PDK3 Q15120 1/20 0.45
PDK4 Q16654 1/20 0.45
STS P08842 1/20 0.45
CYP2C19 P33261 1/20 0.44

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
SCHEMBL2960273 0.84 PREP (0.57) FKBP1A
SCHEMBL26818731 0.83 PDK1 (0.46) PARP1SMN1; SMN2NPC1RAB9AHTT
SCHEMBL29959741 0.83 PDK1 (0.46) PARP1SMN1; SMN2NPC1RAB9AHTT
SCHEMBL25772046 0.83 PDK1 (0.46) PARP1SMN1; SMN2NPC1RAB9AHTT
SCHEMBL29132380 0.83 SMN1; SMN2 (0.54) PARP1SMN1; SMN2NPC1RAB9AHTT
SCHEMBL8340452 0.83 PRSS1 (0.52) TMEM97SIGMAR1PARP1SMN1; SMN2NPC1
SCHEMBL8346225 0.83 PRSS1 (0.52) TMEM97SIGMAR1PARP1SMN1; SMN2NPC1
SCHEMBL13660819 0.83 HRH3 (0.61) HRH3OPRK1
SCHEMBL31040355 0.82 GPR119 (0.54) TMEM97SIGMAR1SMN1; SMN2NPC1RAB9A
SCHEMBL18921646 0.82 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9AHTTSTS

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
US-7767681-B2 2-Carbamide-4-phenylthiazole derivatives, preparation thereof and therapeutic use thereof SANOFI-AVENTIS (FR) 2010-08-03 US disclosed
US-20070179126-A1 2-carbamide-4-phenylthiazole derivatives, preparation thereof and therapeutic use thereof SANOFI-AVENTIS (FR) 2007-08-02 US disclosed
CN-101001847-A 2-Urea-4-phenylthiazole derivatives, preparation method and therapeutic use thereof SANOFI AVENTIS (FR) 2007-07-18 CN 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-20070179126-A1 2-carbamide-4-phenylthiazole derivatives, preparation thereof and therapeutic use thereof UGT2B7, PKD2, CYP2C19 TMEM97 3672/4885SIGMAR1 2247/4885PARP1 4417/4885

“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.