SCHEMBL2836823

SCHEMBL2836823

CN1CCc2sccc2C(O)C1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 5/20 0.41
DRD2 P14416 3/20 0.41
DRD3 P35462 3/20 0.41
DRD4 P21917 2/20 0.41
DRD5 P21918 2/20 0.41
HHAT Q5VTY9 5/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.38
GRIN2B Q13224 1/20 0.37
HTR2A P28223 1/20 0.35
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL4751918 0.81 DRD2 (0.42) DRD1DRD2DRD3DRD4DRD5
SCHEMBL2836553 0.79 GRIN2B (0.41) DRD2DRD3HHATKMT2AGRIN2B
SCHEMBL4751245 0.77 DRD2 (0.40) DRD1DRD2DRD3DRD4DRD5
SCHEMBL3304815 0.77 DRD2 (0.40) DRD1DRD2DRD3DRD4DRD5
SCHEMBL3307496 0.76 HHAT (0.45) DRD1HHATKMT2AGRIN2BMAPK1
SCHEMBL3307502 0.76 HHAT (0.45) DRD1HHATKMT2AGRIN2BMAPK1
SCHEMBL4751946 0.76 HHAT (0.45) DRD1HHATKMT2AGRIN2BMAPK1
SCHEMBL26608671 0.74 SIGMAR1 (0.56) DRD1DRD2DRD3DRD4DRD5
SCHEMBL2839500 0.72 NPC1 (0.46) DRD1DRD2DRD3DRD4DRD5
SCHEMBL2994358 0.72 SMN1; SMN2 (0.42) HHAT

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 DRD1 40/4885DRD2 58/4885DRD3 83/4885

“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.