SCHEMBL5405274

SCHEMBL5405274

CC(=O)N(c1ccccc1)C1CCN(C(=O)c2cccs2)c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 12/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
TSHR P16473 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 1/20 0.48
TP53 P04637 1/20 0.48
RAB9A P51151 1/20 0.48
CYP3A4 P08684 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 2/20 0.46
LMNA P02545 2/20 0.45

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
SCHEMBL5394931 0.84 PTGDR2 (0.63) PTGDR2MEN1KMT2ATSHRSMN1; SMN2
SCHEMBL4116584 0.80 PTGDR2 (0.73) PTGDR2MEN1KMT2ATSHRSMN1; SMN2
SCHEMBL4128935 0.80 PTGDR2 (0.73) PTGDR2MEN1KMT2ATSHRSMN1; SMN2
SCHEMBL4116586 0.80 PTGDR2 (0.73) PTGDR2MEN1KMT2ATSHRSMN1; SMN2
SCHEMBL13776239 0.79 NPSR1 (0.56) PTGDR2MEN1KMT2ATSHRSMN1; SMN2
SCHEMBL4124187 0.76 PTGDR2 (0.69) PTGDR2MEN1KMT2ATSHRSMN1; SMN2
SCHEMBL4133326 0.73 PTGDR2 (0.71) PTGDR2MEN1KMT2ATSHRSMN1; SMN2
SCHEMBL4122781 0.73 PTGDR2 (0.71) PTGDR2MEN1KMT2ATSHRSMN1; SMN2
SCHEMBL4122778 0.73 PTGDR2 (0.71) PTGDR2MEN1KMT2ATSHRSMN1; SMN2
SCHEMBL6650661 0.70 MAPT (0.46) PTGDR2MEN1KMT2ATSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7220760-B2 Quinoline derivatives as CRTH2 antagonists PFIZER INC. (US) 2007-05-22 US claimed
JP-2007507574-A 2007-03-29 JP claimed
EP-1670852-A1 THERMOSETTING MATERIAL BASED ON ANTIPLASTICIZED POLYTHIOURETHANE, AND OPHTHALMIC LENS COMPRISING AN ANTIPLASTICIZED THERMOSETTING MATERIAL ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 2006-06-21 EP claimed
EP-1556356-B1 TETRAHYDROQUINOLINE DERIVATIVES AS CRTH2 ANTAGONISTS WARNER LAMBERT CO (US) 2006-05-31 EP claimed
WO-2005033190-A1 THERMOSETTING MATERIAL BASED ON ANTIPLASTICIZED POLYTHIOURETHANE, AND OPHTHALMIC LENS COMPRISING AN ANTIPLASTICIZED THERMOSETTING MATERIAL ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2005-04-14 WO claimed
US-20040132772-A1 1-carbonyl-4-carbonylaminotetrahydroquinoline derivatives; especially treating asthma and allergic rhinitis WARNER-LAMBERT COMPANY LLC 2004-07-08 US claimed
EP-1435356-A1 Quinoline derivatives as CRTH2 antagonists Warner-Lambert Company LLC (US) 2004-07-07 EP claimed
EP-1413306-A1 Tetrahydroquinoline derivatives as CRTH2 antagonists Warner-Lambert Company LLC (US) 2004-04-28 EP claimed
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 PTGDR2 748/4885MEN1 2397/4885KMT2A 906/4885
US-20070197587-A1 Quinoline Derivatives as CRTH2 Antagonists HRH2, HRH1, HRH3 PTGDR2 120/4885MEN1 2435/4885KMT2A 2049/4885

“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.