SCHEMBL2837067

SCHEMBL2837067

Cc1cc2c(s1)C(O)CCN(C)C2

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
QDPR P09417 1/20 0.35
MAOA P21397 3/20 0.31
MAOB P27338 3/20 0.31
SLC6A4 P31645 2/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A3 Q01959 1/20 0.31

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
SCHEMBL2836955 0.83 SLC6A2 (0.38) SLC6A4SLC6A2SLC6A3
SCHEMBL2836592 0.74 GAA (0.32)
SCHEMBL2838984 0.74 KDM4E (0.37) SLC6A4SLC6A2SLC6A3
SCHEMBL17970193 0.73 UGT2B17 (0.40)
SCHEMBL2837935 0.72 DRD2 (0.38) QDPRMAOAMAOBSLC6A4SLC6A2
SCHEMBL13303500 0.71 UGT2B17 (0.35)
SCHEMBL2835922 0.71 SSTR1 (0.38) MAOAMAOB
SCHEMBL2842429 0.70
SCHEMBL2840841 0.70 MEN1 (0.37) SLC6A4SLC6A2SLC6A3
SCHEMBL23847406 0.68 CHRNB2 (0.35)

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 QDPR 1023/4885MAOA 16/4885MAOB 15/4885

“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.