SCHEMBL2934980

SCHEMBL2934980

CS(=O)(=O)OC(=O)c1cc(-c2ccc(C3CCNCC3)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 19/20 0.74
TMEM97 Q5BJF2 7/20 0.74
DRD5 P21918 6/20 0.74
ADRB3 P13945 5/20 0.74
SIGMAR1 Q99720 5/20 0.74
DRD1 P21728 5/20 0.74
ADRA1B P35368 4/20 0.74
DRD3 P35462 3/20 0.74
ADRA2B P18089 3/20 0.74
HTR1A P08908 2/20 0.74
SLC6A2 P23975 2/20 0.74
AGTR1 P30556 2/20 0.74
SLC6A3 Q01959 2/20 0.74
ADRA2C P18825 2/20 0.74
ADRA2A P08913 2/20 0.74
PDE2A O00408 1/20 0.74
PDE5A O76074 1/20 0.74
EGFR P00533 1/20 0.74
INSR P06213 1/20 0.74
NTSR1 P30989 1/20 0.74

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
SCHEMBL22996061 0.89 P2RY14 (0.79) P2RY14TMEM97DRD5ADRB3SIGMAR1
SCHEMBL2932404 0.88 P2RY14 (0.69) P2RY14TMEM97DRD5ADRB3SIGMAR1
Pptn SCHEMBL2934979 0.88 P2RY14 (0.89) P2RY14TMEM97DRD5ADRB3SIGMAR1
SCHEMBL2935177 0.87 P2RY14 (0.75) P2RY14TMEM97DRD5ADRB3SIGMAR1
SCHEMBL26033092 0.86 P2RY14 (0.83) P2RY14TMEM97DRD5ADRB3SIGMAR1
Pptn SCHEMBL13057620 0.85 P2RY14 (1.00) P2RY14TMEM97DRD5ADRB3SIGMAR1
Pptn SCHEMBL31722460 0.84 P2RY14 (1.00) P2RY14TMEM97DRD5ADRB3SIGMAR1
SCHEMBL13057718 0.83 TMEM97 (0.79) P2RY14TMEM97DRD5ADRB3SIGMAR1
SCHEMBL30608323 0.82 P2RY14 (1.00) P2RY14TMEM97DRD5ADRB3SIGMAR1
SCHEMBL30608300 0.82 P2RY14 (0.76) P2RY14TMEM97DRD5ADRB3SIGMAR1

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 3 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
EP-2229373-A1 SUBSTITUTED 2-NAPHTHOIC ACIDS AS ANTAGONISTS OF GPR105 ACTIVITY Merck Frosst Canada Ltd. (CA) 2010-09-22 EP disclosed
WO-2009070873-A1 SUBSTITUTED 2-NAPHTHOIC ACIDS AS ANTAGONISTS OF GPR105 ACTIVITY MERCK FROSST CANADA LTD. (CA) 2009-06-11 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-20100298347-A1 SUBSTITUTED 2-NAPHTHOIC ACIDS AS ANTAGONISTS OF GPR105 ACTIVITY GPR119, GPR52, GPR35 P2RY14 423/4885TMEM97 143/4885DRD5 1185/4885

“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.