SCHEMBL13057716

SCHEMBL13057716

CN(C)C(=O)COC(=O)c1cc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 6/20 0.83
P2RY14 Q15391 15/20 0.75
SIGMAR1 Q99720 3/20 0.63
DRD1 P21728 4/20 0.61
DRD5 P21918 3/20 0.59
ADRB3 P13945 2/20 0.59
ADRA2C P18825 2/20 0.59
DRD3 P35462 2/20 0.59
HTR1D P28221 1/20 0.59
HTR1E P28566 1/20 0.59
TSPO P30536 1/20 0.59
ADRA1A P35348 1/20 0.59
HTR5A P47898 1/20 0.59
KCNH2 Q12809 1/20 0.59
ADRA2A P08913 2/20 0.53
ADRA1B P35368 2/20 0.53
HRH4 Q9H3N8 1/20 0.53
PDE2A O00408 1/20 0.50
PDE5A O76074 1/20 0.50
EGFR P00533 1/20 0.50

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
SCHEMBL30195542 0.92 P2RY14 (0.81) TMEM97P2RY14SIGMAR1DRD1DRD5
SCHEMBL2934966 0.92 P2RY14 (0.81) TMEM97P2RY14SIGMAR1DRD1DRD5
SCHEMBL29691877 0.91 TMEM97 (1.00) TMEM97P2RY14SIGMAR1DRD1DRD5
SCHEMBL13807531 0.87 TMEM97 (0.82) TMEM97P2RY14SIGMAR1DRD1DRD5
SCHEMBL2932605 0.86 P2RY14 (1.00) TMEM97P2RY14SIGMAR1DRD1DRD5
SCHEMBL13057718 0.85 TMEM97 (0.79) TMEM97P2RY14SIGMAR1DRD1DRD5
SCHEMBL29691745 0.82 TMEM97 (0.88) TMEM97P2RY14SIGMAR1DRD1DRD3
SCHEMBL3751405 0.82 TMEM97 (0.73) TMEM97P2RY14SIGMAR1DRD1DRD5
SCHEMBL21247893 0.80 P2RY14 (0.77) TMEM97P2RY14SIGMAR1DRD1DRD5
SCHEMBL22996142 0.79 TMEM97 (0.65) TMEM97P2RY14SIGMAR1DRD1DRD5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298347-A1 SUBSTITUTED 2-NAPHTHOIC ACIDS AS ANTAGONISTS OF GPR105 ACTIVITY MERCK FROSST CANADA LTD (CA) 2010-11-25 US disclosed
US-20100298347-A1 SUBSTITUTED 2-NAPHTHOIC ACIDS AS ANTAGONISTS OF GPR105 ACTIVITY MERCK FROSST CANADA LTD (CA) 2010-11-25 US 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-20100298347-A1 SUBSTITUTED 2-NAPHTHOIC ACIDS AS ANTAGONISTS OF GPR105 ACTIVITY GPR119, GPR52, GPR35 TMEM97 143/4885P2RY14 423/4885SIGMAR1 2471/4885

“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.