SCHEMBL4184367

SCHEMBL4184367

CC1(C)C2CCC1(CS(=O)(=O)O)C(=O)C2.O=C1OC2(CCNC2)c2ccccc21

nearest known ligand 0.49

Known targets — ChEMBL curated mechanism

CHRNA3CHRNB4PARP1PARP2PARP3

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
F2 P00734 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 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
SCHEMBL349274 1.00 CYP1A2 (0.49) CYP1A2CYP2C19CYP2D6CYP2C9KMT2A
SCHEMBL350514 1.00 CYP1A2 (0.49) CYP1A2CYP2C19CYP2D6CYP2C9KMT2A
SCHEMBL4512386 1.00 CYP1A2 (0.49) CYP1A2CYP2C19CYP2D6CYP2C9KMT2A
SCHEMBL347961 1.00 CYP1A2 (0.49) CYP1A2CYP2C19CYP2D6CYP2C9KMT2A
SCHEMBL349859 1.00 CYP1A2 (0.49) CYP1A2CYP2C19CYP2D6CYP2C9KMT2A
SCHEMBL349792 1.00 CYP1A2 (0.49) CYP1A2CYP2C19CYP2D6CYP2C9KMT2A
SCHEMBL349194 1.00 CYP1A2 (0.49) CYP1A2CYP2C19CYP2D6CYP2C9KMT2A
SCHEMBL351041 0.89 CYP1A2 (0.44) CYP1A2CYP2C19CYP2D6CYP2C9KMT2A
Phthalimide SCHEMBL12814192 0.79 CYP1A2 (0.60) CYP1A2CYP2C19CYP2D6CYP2C9KMT2A
Piperazine SCHEMBL7847700 0.76 KMT2A (0.60) CYP1A2CYP2C19CYP2D6CYP2C9KMT2A

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
EP-2013163-A1 TETRASUBSTITUTED UREAS AS MODULATORS OF 11-BETA HYDROXYL STEROID DEHYDROGENASE TYPE 1 Incyte Corporation (US) 2009-01-14 EP disclosed
US-20070293529-A1 Tetrasubstituted ureas as modulators of 11-beta hydroxyl steroid dehydrogenase type 1 INCYTE CORPORATION 2007-12-20 US disclosed
WO-2007130898-A1 TETRASUBSTITUTED UREAS AS MODULATORS OF 11-β HYDROXYL STEROID DEHYDROGENASE TYPE 1 INCYTE CORPORATION (US) 2007-11-15 WO disclosed
US-20070213311-A1 Modulators of 11-beta hydroxyl steroid dehydrogenase type 1, pharmaceutical compositions thereof, and methods of using the same INCYTE CORPORATION 2007-09-13 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 (2 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-20070213311-A1 Modulators of 11-beta hydroxyl steroid dehydrogenase type 1, pharmaceutical compositions thereof, and methods of using the same HSD11B1, HSD17B1, HSD3B1 CYP1A2 114/4885CYP2C19 277/4885CYP2D6 219/4885
US-20070293529-A1 Tetrasubstituted ureas as modulators of 11-beta hydroxyl steroid dehydrogenase type 1 HSD11B1, HSD17B1, HSD17B11 CYP1A2 144/4885CYP2C19 430/4885CYP2D6 304/4885

“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.