SCHEMBL5403363

SCHEMBL5403363

CC1CC(=O)c2cc(Cl)ccc2N1C(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SLC22A12 Q96S37 1/20 0.47
SMYD3 Q9H7B4 2/20 0.46
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MITF O75030 1/20 0.42
HSP90AA1 P07900 1/20 0.42
HTT P42858 1/20 0.42
ATM Q13315 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TLR9 Q9NR96 1/20 0.42
SPR P35270 1/20 0.42

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
SCHEMBL5397337 0.84 LMNA (0.51) MEN1KMT2ASLC22A12SMYD3SMN1; SMN2
SCHEMBL5394079 0.82 MEN1 (0.43) MEN1KMT2ASLC22A12SMYD3TSHR
SCHEMBL5394076 0.82 MEN1 (0.43) MEN1KMT2ASLC22A12SMYD3TSHR
SCHEMBL10912202 0.72 LMNA (0.37) SLC22A12LMNASPR
SCHEMBL15890864 0.71 NOTUM (0.46)
SCHEMBL5440993 0.71 LMNA (0.65) SMN1; SMN2LMNA
SCHEMBL5441003 0.71 LMNA (0.65) SMN1; SMN2LMNA
SCHEMBL5440997 0.71 LMNA (0.65) SMN1; SMN2LMNA
SCHEMBL3456788 0.70 DRD3 (0.42) MEN1KMT2ASMYD3TSHRSMN1; SMN2
SCHEMBL6420547 0.70 MCL1 (0.73) MEN1KMT2ATSHRLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070197587-A1 Quinoline Derivatives as CRTH2 Antagonists PFIZER INC 2007-08-23 US disclosed
US-7220760-B2 Quinoline derivatives as CRTH2 antagonists PFIZER INC. (US) 2007-05-22 US disclosed
EP-1556356-B1 TETRAHYDROQUINOLINE DERIVATIVES AS CRTH2 ANTAGONISTS WARNER LAMBERT CO (US) 2006-05-31 EP disclosed
EP-1556356-A1 TETRAHYDROQUINOLINE DERIVATIVES AS CRTH2 ANTAGONISTS Warner-Lambert Company LLC (US) 2005-07-27 EP disclosed
US-20040132772-A1 1-carbonyl-4-carbonylaminotetrahydroquinoline derivatives; especially treating asthma and allergic rhinitis WARNER-LAMBERT COMPANY LLC 2004-07-08 US disclosed
EP-1435356-A1 Quinoline derivatives as CRTH2 antagonists Warner-Lambert Company LLC (US) 2004-07-07 EP disclosed
WO-2004035543-A1 TETRAHYDROQUINOLINE DERIVATIVES AS CRTH2 ANTAGONISTS WARNER-LAMBERT COMPANY LLC (US) 2004-04-29 WO disclosed
EP-1413306-A1 Tetrahydroquinoline derivatives as CRTH2 antagonists Warner-Lambert Company LLC (US) 2004-04-28 EP 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-20040132772-A1 1-carbonyl-4-carbonylaminotetrahydroquinoline derivatives; especially treating asthma and allergic rhinitis HRH1, HRH2, HRH4 MEN1 2397/4885KMT2A 906/4885SLC22A12 4605/4885
US-20070197587-A1 Quinoline Derivatives as CRTH2 Antagonists HRH2, HRH1, HRH3 MEN1 2435/4885KMT2A 2049/4885SLC22A12 2372/4885

“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.