SCHEMBL5397337

SCHEMBL5397337

CC1CC(=O)c2ccccc2N1C(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.51
ALDH1A1 P00352 2/20 0.50
PTGDR2 Q9Y5Y4 6/20 0.49
SLC22A12 Q96S37 1/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
SMYD3 Q9H7B4 2/20 0.46
MCL1 Q07820 1/20 0.45
NPC1 O15118 1/20 0.45
PKM P14618 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
POLB P06746 1/20 0.45
NOTUM Q6P988 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
SCHEMBL5403363 0.84 MEN1 (0.47) LMNAALDH1A1PTGDR2SLC22A12MEN1
SCHEMBL5835789 0.83 NOTUM (0.64) ALDH1A1NOTUM
SCHEMBL221250 0.83 NOTUM (0.64) ALDH1A1NOTUM
SCHEMBL6420547 0.81 MCL1 (0.73) LMNAALDH1A1MEN1KMT2AMCL1
SCHEMBL4914150 0.78 HTT (0.59) LMNAALDH1A1PTGDR2MEN1KMT2A
SCHEMBL6649103 0.77 BCHE (0.43) LMNAALDH1A1NPC1PKMRAB9A
SCHEMBL30346306 0.77 BCHE (0.43) LMNAALDH1A1NPC1PKMRAB9A
SCHEMBL31736935 0.76 PTGDR2 (0.52) PTGDR2NPC1RAB9ASMN1; SMN2
SCHEMBL4114235 0.76 PTGDR2 (0.52) PTGDR2NPC1RAB9ASMN1; SMN2
SCHEMBL5408332 0.75 LMNA (0.45) LMNAALDH1A1PTGDR2SLC22A12MEN1

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 LMNA 2805/4885ALDH1A1 99/4885PTGDR2 748/4885
US-20070197587-A1 Quinoline Derivatives as CRTH2 Antagonists HRH2, HRH1, HRH3 LMNA 3648/4885ALDH1A1 1391/4885PTGDR2 120/4885

“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.