SCHEMBL938017

SCHEMBL938017

CC(C)(C)N(C(=O)O)c1cc(Cl)c(Cl)c(Cl)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.33
HPGD P15428 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NR1H4 Q96RI1 2/20 0.33
CYP2C19 P33261 4/20 0.32
HTT P42858 3/20 0.32
CYP2C9 P11712 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HIF1A Q16665 1/20 0.32
POLB P06746 1/20 0.32
APEX1 P27695 1/20 0.32
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL939505 0.90 HPGD (0.38) CYP3A4HPGDHSD17B10NR1H4HIF1A
SCHEMBL1029350 0.81 CYP3A4 (0.42) CYP3A4CYP2C19HTTCYP2C9MEN1
SCHEMBL11001481 0.79 SMN1; SMN2 (0.49) CYP3A4HPGDCYP2C19HTTMEN1
SCHEMBL28920249 0.79 NPY2R (0.30)
SCHEMBL28920241 0.76 SOS1 (0.33)
SCHEMBL17221855 0.76 TDP1 (0.34) HSD17B10MEN1KMT2AALDH1A1CASP1
SCHEMBL17601115 0.75 CYP3A4 (0.38) CYP3A4HPGDHSD17B10NR1H4CYP2C19
SCHEMBL2204705 0.75 GRM4 (0.35) HTTPOLBAPEX1ATF1NFKB1
SCHEMBL23140325 0.75 TAS1R3 (0.36) CYP2C19HTTCYP2C9CYP2D6POLB
SCHEMBL16776735 0.74 RXRB (0.38) HPGDCYP2C19SMN1; SMN2TSHR

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-8524722-B2 Substituted tricyclic compounds and methods of use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-09-03 US disclosed
US-20110021493-A1 SUBSTITUTED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-27 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-20110021493-A1 SUBSTITUTED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF CYP11B2, CYP11B1, CYP11A1 CYP3A4 29/4885HPGD 336/4885CRHBP 4065/4885

“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.