SCHEMBL4190766

SCHEMBL4190766

CC(=O)N(C1CC1)[C@@H]1C[C@H](C)N(C(=O)c2cccnc2)c2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
PTGDR2 Q9Y5Y4 16/20 0.58
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
ALDH1A1 P00352 1/20 0.54

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
SCHEMBL4123558 1.00 LMNA (0.59) LMNASMN1; SMN2PTGDR2MEN1KMT2A
SCHEMBL4190759 1.00 LMNA (0.59) LMNASMN1; SMN2PTGDR2MEN1KMT2A
SCHEMBL5408119 0.88 PTGDR2 (0.72) PTGDR2MEN1KMT2A
SCHEMBL5408116 0.88 PTGDR2 (0.72) PTGDR2MEN1KMT2A
SCHEMBL5408125 0.88 PTGDR2 (0.72) PTGDR2MEN1KMT2A
SCHEMBL5411523 0.86 PTGDR2 (0.79) LMNASMN1; SMN2PTGDR2MEN1KMT2A
SCHEMBL5411534 0.86 PTGDR2 (0.79) LMNASMN1; SMN2PTGDR2MEN1KMT2A
SCHEMBL5411524 0.86 PTGDR2 (0.79) LMNASMN1; SMN2PTGDR2MEN1KMT2A
SCHEMBL5391999 0.84 PTGDR2 (0.80) LMNASMN1; SMN2PTGDR2MEN1KMT2A
SCHEMBL5391983 0.84 PTGDR2 (0.80) LMNASMN1; SMN2PTGDR2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090170897-A1 Method of Treating Neuropathic Pain PFIZER, INC. (US) 2009-07-02 US claimed
EP-1740179-A1 METHOD OF TREATING NEUROPATHIC PAIN USING A CRTH2 RECEPTOR ANTAGONIST Pfizer Limited (GB) 2007-01-10 EP claimed
EP-1556356-B1 TETRAHYDROQUINOLINE DERIVATIVES AS CRTH2 ANTAGONISTS WARNER LAMBERT CO (US) 2006-05-31 EP claimed
WO-2005102338-A1 METHOD OF TREATING NEUROPATHIC PAIN USING A CRTH2 RECEPTOR ANTAGONIST PFIZER LIMITED (GB) 2005-11-03 WO claimed
EP-1556356-A1 TETRAHYDROQUINOLINE DERIVATIVES AS CRTH2 ANTAGONISTS Warner-Lambert Company LLC (US) 2005-07-27 EP 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
WO-2004035543-A1 TETRAHYDROQUINOLINE DERIVATIVES AS CRTH2 ANTAGONISTS WARNER-LAMBERT COMPANY LLC (US) 2004-04-29 WO claimed
EP-1413306-A1 Tetrahydroquinoline derivatives as CRTH2 antagonists Warner-Lambert Company LLC (US) 2004-04-28 EP claimed
US-20090170897-A1 Method of Treating Neuropathic Pain PFIZER, INC. (US) 2009-07-02 US disclosed
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-1740179-A1 METHOD OF TREATING NEUROPATHIC PAIN USING A CRTH2 RECEPTOR ANTAGONIST Pfizer Limited (GB) 2007-01-10 EP disclosed
EP-1556356-B1 TETRAHYDROQUINOLINE DERIVATIVES AS CRTH2 ANTAGONISTS WARNER LAMBERT CO (US) 2006-05-31 EP disclosed
WO-2005102338-A1 METHOD OF TREATING NEUROPATHIC PAIN USING A CRTH2 RECEPTOR ANTAGONIST PFIZER LIMITED (GB) 2005-11-03 WO 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 (3 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 2805/4885SMN1; SMN2 4792/4885PTGDR2 748/4885
US-20070197587-A1 Quinoline Derivatives as CRTH2 Antagonists HRH2, HRH1, HRH3 LMNA 3648/4885SMN1; SMN2 4354/4885PTGDR2 120/4885
US-20090170897-A1 Method of Treating Neuropathic Pain OPRL1, CNR2, HRH2 LMNA 3970/4885SMN1; SMN2 624/4885PTGDR2 33/4885

“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.