SCHEMBL2839830

SCHEMBL2839830

CN1Cc2sccc2C(Oc2cccc(C#N)c2)C1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.43
SLC6A3 Q01959 3/20 0.43
SLC6A4 P31645 3/20 0.43
DRD3 P35462 5/20 0.42
DRD2 P14416 4/20 0.42
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HRH1 P35367 2/20 0.37
CCR3 P51677 2/20 0.37
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37
NFKB1 P19838 1/20 0.37
CASP1 P29466 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
MGLL Q99685 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35

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
SCHEMBL2841093 0.83 SLC6A2 (0.43) SLC6A2SLC6A3SLC6A4DRD3DRD2
Hydrochloric Acid SCHEMBL2836882 0.81 NPC1 (0.41) SLC6A2SLC6A3SLC6A4DRD2NPC1
SCHEMBL2839552 0.79 SLC6A4 (0.43) SLC6A2SLC6A3SLC6A4DRD2NPC1
SCHEMBL2841780 0.78 SLC6A2 (0.39) SLC6A2SLC6A3SLC6A4DRD3DRD2
SCHEMBL2840442 0.77 SLC6A2 (0.45) SLC6A2SLC6A3SLC6A4NPC1RAB9A
SCHEMBL16382665 0.73 SLC6A2 (0.57) SLC6A2SLC6A3SLC6A4DRD3DRD2
SCHEMBL4751909 0.71 NPC1 (0.49) SLC6A2SLC6A3SLC6A4NPC1RAB9A
SCHEMBL3289104 0.71 HRH3 (0.68) SLC6A2SLC6A3SLC6A4DRD3DRD2
SCHEMBL2841032 0.70 SLC6A2 (0.45) SLC6A2SLC6A3SLC6A4DRD3DRD2
SCHEMBL2840332 0.70 SLC6A2 (0.40) SLC6A2SLC6A3SLC6A4NPC1RAB9A

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 SLC6A2 196/4885SLC6A3 118/4885SLC6A4 185/4885

“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.