SCHEMBL2334359

SCHEMBL2334359

COC(=O)Cc1cc(OC2CCNCC2)c2cc(F)ccc2c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.41
SLC6A3 Q01959 2/20 0.41
SLC6A4 P31645 1/20 0.41
KCNH2 Q12809 1/20 0.41
NMT1 P30419 4/20 0.39
UTS2R Q9UKP6 5/20 0.39
HRH1 P35367 1/20 0.39
IDO1 P14902 1/20 0.39
ABL1 P00519 1/20 0.38
BCL9 O00512 2/20 0.38
CTNNB1 P35222 2/20 0.38
NMT2 O60551 1/20 0.38
PTGDR2 Q9Y5Y4 2/20 0.38
HTR1A P08908 1/20 0.38

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
SCHEMBL13363609 0.89 PTGDR2 (0.47) SLC6A2SLC6A3SLC6A4KCNH2NMT1
SCHEMBL15020828 0.86 PTGDR2 (0.48) SLC6A2SLC6A3SLC6A4KCNH2NMT1
SCHEMBL2339351 0.85 IKBKB (0.40) PTGDR2
SCHEMBL2331889 0.84 EPHX2 (0.40) PTGDR2
SCHEMBL2333744 0.84 L3MBTL1 (0.49) PTGDR2
SCHEMBL2336724 0.81 PDE4D (0.49) IDO1
Trifluoroacetic Acid SCHEMBL15006670 0.81 PTGDR2 (0.47) SLC6A2SLC6A3SLC6A4KCNH2NMT1
SCHEMBL16474072 0.76 PTGDR2 (0.50) HRH1PTGDR2
SCHEMBL2171906 0.76 HSP90AB1 (0.50)
SCHEMBL2335864 0.75 PTGDR2 (0.45) PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2358677-B1 NAPHTHYLACETIC ACIDS USED AS CRTH2 ANTAGONISTS OR PARTIAL AGONISTS HOFFMANN LA ROCHE (CH) 2014-01-08 EP disclosed
EP-2358677-B1 NAPHTHYLACETIC ACIDS USED AS CRTH2 ANTAGONISTS OR PARTIAL AGONISTS HOFFMANN LA ROCHE (CH) 2014-01-08 EP disclosed
US-8188090-B2 Naphthylacetic acids HOFFMAN-LA ROCHE INC. (US) 2012-05-29 US disclosed
US-8188090-B2 Naphthylacetic acids HOFFMAN-LA ROCHE INC. (US) 2012-05-29 US disclosed
US-8188090-B2 Naphthylacetic acids HOFFMAN-LA ROCHE INC. (US) 2012-05-29 US disclosed
EP-2358677-A1 NAPHTHYLACETIC ACIDS USED AS CRTH2 ANTAGONISTS OR PARTIAL AGONISTS F. Hoffmann-La Roche AG (CH) 2011-08-24 EP disclosed
US-20100125061-A1 NAPHTHYLACETIC ACIDS FIROOZNIA FARIBORZ 2010-05-20 US disclosed
US-20100125061-A1 NAPHTHYLACETIC ACIDS FIROOZNIA FARIBORZ 2010-05-20 US disclosed
US-20100125061-A1 NAPHTHYLACETIC ACIDS FIROOZNIA FARIBORZ 2010-05-20 US disclosed
WO-2010055006-A1 NAPHTHYLACETIC ACIDS USED AS CRTH2 ANTAGONISTS OR PARTIAL AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2010-05-20 WO disclosed
WO-2010055006-A1 NAPHTHYLACETIC ACIDS USED AS CRTH2 ANTAGONISTS OR PARTIAL AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2010-05-20 WO 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-20100125061-A1 NAPHTHYLACETIC ACIDS HRH2, HRH1, HRH3 SLC6A2 1231/4885SLC6A3 2179/4885SLC6A4 2233/4885

“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.