SCHEMBL2840993

SCHEMBL2840993

CCN1CCc2sccc2C(Oc2ccc(C(N)=O)cc2Cl)C1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 4/20 0.36
UTS2R Q9UKP6 1/20 0.35
TPH1 P17752 1/20 0.34
DRD1 P21728 1/20 0.34
OPRK1 P41145 6/20 0.34
OPRM1 P35372 5/20 0.34
KCNH2 Q12809 1/20 0.34

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 SCHEMBL2839430 0.86 UTS2R (0.37) OPRD1UTS2RTPH1DRD1OPRK1
SCHEMBL2844559 0.86 OPRD1 (0.37) OPRD1UTS2RTPH1
Hydrochloric Acid SCHEMBL2837086 0.78 OPRK1 (0.38) OPRD1UTS2RTPH1OPRK1OPRM1
SCHEMBL2843896 0.77 TOP2A (0.38)
SCHEMBL2840801 0.75 OPRD1 (0.39) OPRD1KCNH2
SCHEMBL2842973 0.73 TPH1 (0.34) OPRD1UTS2RTPH1OPRK1OPRM1
SCHEMBL2840576 0.73 DRD3 (0.36) DRD1OPRK1OPRM1KCNH2
SCHEMBL2873210 0.73 UTS2R (0.37) OPRD1UTS2RDRD1
SCHEMBL2834956 0.72 HHAT (0.38) DRD1
SCHEMBL2836972 0.72 SLC6A4 (0.34) OPRD1UTS2ROPRK1OPRM1KCNH2

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-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 OPRD1 1/4885UTS2R 702/4885TPH1 17/4885

“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.