SCHEMBL2840919

SCHEMBL2840919

CN1CCC(Oc2ccc(C(N)=O)cc2Cl)c2ccoc2C1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 1/20 0.36
CHEK2 O96017 2/20 0.34
OPRK1 P41145 7/20 0.34
OPRM1 P35372 6/20 0.34
OPRD1 P41143 4/20 0.34
KCNH2 Q12809 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TPH1 P17752 1/20 0.33
PDE5A O76074 2/20 0.33
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32

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
Hydrochloric Acid SCHEMBL2840295 0.99 UTS2R (0.35) UTS2RCHEK2OPRK1OPRM1OPRD1
Hydrochloric Acid SCHEMBL2838010 0.87 UTS2R (0.40) UTS2RKCNH2SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL2841324 0.87 ALDH1A1 (0.40) UTS2RCHEK2OPRK1OPRM1KCNH2
Hydrochloric Acid SCHEMBL2839498 0.86 F10 (0.37) KCNH2SLC6A3
Hydrochloric Acid SCHEMBL2838794 0.85 ROCK2 (0.39) UTS2RPDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL2837176 0.84 UTS2R (0.35) UTS2RCHEK2OPRK1OPRM1OPRD1
Hydrochloric Acid SCHEMBL2839832 0.84 FPR2 (0.36) SLC6A4KDM4EALDH1A1
Hydrochloric Acid SCHEMBL2839679 0.84 OPRK1 (0.42) UTS2ROPRK1KCNH2
Hydrochloric Acid SCHEMBL2836634 0.82 OPRK1 (0.33) UTS2ROPRK1OPRM1OPRD1KCNH2
Hydrochloric Acid SCHEMBL2837086 0.80 OPRK1 (0.38) UTS2RCHEK2OPRK1OPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8217031-B2 Heteroaryl derivatives NIPPON SHINYAKU CO., LTD. (JP) 2012-07-10 US claimed
US-20100048537-A1 HETEROARYL DERIVATIVES NIPPON SHINYAKU CO., LTD. (JP) 2010-02-25 US claimed
EP-2141168-A1 HETEROARYL DERIVATIVES Nippon Shinyaku Co., Ltd. (JP) 2010-01-06 EP claimed
US-8217031-B2 Heteroaryl derivatives NIPPON SHINYAKU CO., LTD. (JP) 2012-07-10 US disclosed
US-20100048537-A1 HETEROARYL DERIVATIVES NIPPON SHINYAKU CO., LTD. (JP) 2010-02-25 US disclosed
EP-2141168-A1 HETEROARYL DERIVATIVES Nippon Shinyaku Co., Ltd. (JP) 2010-01-06 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 (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-20100048537-A1 HETEROARYL DERIVATIVES OPRD1, OPRM1, OPRK1 UTS2R 702/4885CHEK2 4061/4885OPRK1 3/4885

“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.