SCHEMBL2333908

SCHEMBL2333908

CC(c1ccccc1)N1CC2(CN(C(=O)OC(C)(C)C)C2)C1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.45
CYP2D6 P10635 8/20 0.44
CYP3A4 P08684 6/20 0.44
CYP2C9 P11712 5/20 0.44
CYP2C19 P33261 4/20 0.44
TSHR P16473 6/20 0.43
CYP1A2 P05177 4/20 0.43
HIF1A Q16665 2/20 0.43
SCD5 Q86SK9 1/20 0.43
ALOX15 P16050 1/20 0.42
GPR119 Q8TDV5 1/20 0.42
CYP11B2 P19099 1/20 0.42
ALDH1A1 P00352 3/20 0.41
RORC P51449 2/20 0.41
USP2 O75604 2/20 0.41
RECQL P46063 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL31493496 0.87 CYP2D6 (0.55) ATMCYP2D6CYP3A4CYP2C9CYP2C19
SCHEMBL25538910 0.83 HTT (0.38) ATMTSHRSCD5ALOX15GPR119
SCHEMBL8115616 0.82 CYP2D6 (0.57) ATMCYP2D6TSHRALOX15GPR119
SCHEMBL3805489 0.82 CYP2D6 (0.57) ATMCYP2D6TSHRALOX15GPR119
SCHEMBL2331376 0.82 CYP2D6 (0.50) CYP2D6CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL31407871 0.80 ATM (0.41) ATMCYP2D6CYP3A4CYP2C9CYP2C19
SCHEMBL18263789 0.80 CYP2D6 (0.62) CYP2D6CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL18705166 0.78 USP2 (0.42) ATMGPR119CYP11B2ALDH1A1RORC
SCHEMBL29414234 0.78 RORC (0.46) ATMTSHRALOX15GPR119ALDH1A1
SCHEMBL29414220 0.78 RORC (0.46) ATMTSHRALOX15GPR119ALDH1A1

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 ATM 4244/4885CYP2D6 315/4885CYP3A4 1133/4885

“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.