SCHEMBL2841780

SCHEMBL2841780

CN1Cc2occc2C(Oc2cccc(C#N)c2)C1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.39
SLC6A3 Q01959 3/20 0.39
SLC6A4 P31645 3/20 0.39
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
HRH1 P35367 2/20 0.35
CCR3 P51677 2/20 0.35
TBXAS1 P24557 1/20 0.34
CHRM4 P08173 1/20 0.34
MGLL Q99685 3/20 0.33
TRPA1 O75762 2/20 0.33
DRD4 P21917 1/20 0.33

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 SCHEMBL2838547 0.81 KMT2A (0.38) SLC6A2SLC6A3SLC6A4DRD2DRD3
Hydrochloric Acid SCHEMBL2839429 0.80 SLC6A2 (0.36) SLC6A2SLC6A3SLC6A4HRH1
Hydrochloric Acid SCHEMBL3575325 0.79 SLC6A4 (0.39) SLC6A2SLC6A3SLC6A4DRD2MGLL
SCHEMBL2839830 0.78 SLC6A2 (0.43) SLC6A2SLC6A3SLC6A4DRD2DRD3
Hydrochloric Acid SCHEMBL2842811 0.78 SLC6A2 (0.37) SLC6A2SLC6A3SLC6A4DRD3
Hydrochloric Acid SCHEMBL2840796 0.77 SLC6A2 (0.41) SLC6A2SLC6A3SLC6A4
Hydrochloric Acid SCHEMBL2840918 0.75 SLC6A2 (0.30) SLC6A2SLC6A3SLC6A4
Hydrochloric Acid SCHEMBL2836968 0.75 SLC6A2 (0.40) SLC6A2SLC6A3SLC6A4
Hydrochloric Acid SCHEMBL2840837 0.75
Hydrochloric Acid SCHEMBL2839853 0.74 SLC6A2 (0.33) SLC6A2SLC6A3SLC6A4

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.