SCHEMBL2844140

SCHEMBL2844140

CN1CCc2sccc2C(Oc2cccc(Cl)c2C(F)(F)F)C1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 3/20 0.37
RBP4 P02753 1/20 0.36
TTR P02766 1/20 0.36
DRD5 P21918 2/20 0.34
HHAT Q5VTY9 1/20 0.33
HTR2A P28223 2/20 0.33
UTS2R Q9UKP6 1/20 0.32
LHCGR P22888 1/20 0.32
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL2841140 0.79 DRD2 (0.36) DRD1DRD5HHATUTS2RDRD2
SCHEMBL2835731 0.77 MEN1 (0.39) DRD1DRD5HHATDRD2DRD3
Hydrochloric Acid SCHEMBL2841000 0.77 L3MBTL1 (0.41) DRD1DRD5HTR2ALHCGRDRD2
SCHEMBL2872457 0.76 HHAT (0.40) DRD1DRD5HHATHTR2ADRD2
Hydrochloric Acid SCHEMBL2840992 0.76 UTS2R (0.36) HHATHTR2AUTS2RLHCGRNPSR1
Hydrochloric Acid SCHEMBL2836629 0.76 MEN1 (0.41) DRD1DRD5HHATDRD2DRD3
SCHEMBL2840634 0.74 NPC1 (0.39) DRD1HTR2ADRD2DRD3
SCHEMBL2836992 0.73 KDM4E (0.38) HHATLHCGR
Hydrochloric Acid SCHEMBL2840931 0.72 OPRD1 (0.38) HHATLHCGR
SCHEMBL3304815 0.71 DRD2 (0.40) DRD1DRD5HHATLHCGRDRD2

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 40/4885RBP4 4539/4885TTR 4508/4885

“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.