SCHEMBL2844218

SCHEMBL2844218

Cc1cc2c(s1)CN(C)CCC2Oc1cccc(Br)c1Cl

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 1/20 0.30
SSTR1 P30872 1/20 0.30
SSTR4 P31391 1/20 0.30
DRD1 P21728 1/20 0.30
DRD5 P21918 1/20 0.30

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 SCHEMBL2840923 0.90 UTS2R (0.31) UTS2RSSTR1SSTR4DRD1DRD5
SCHEMBL2840963 0.89 SIGMAR1 (0.35) SSTR1SSTR4DRD1DRD5
SCHEMBL2837859 0.89 SSTR1 (0.36) UTS2RSSTR1SSTR4DRD1DRD5
Hydrochloric Acid SCHEMBL2840393 0.88 SIGMAR1 (0.35) DRD1DRD5
SCHEMBL2836724 0.83 SSTR1 (0.32) SSTR1SSTR4
SCHEMBL2840628 0.81 HCRTR1 (0.36)
Hydrochloric Acid SCHEMBL2837102 0.80 PKM (0.34)
Hydrochloric Acid SCHEMBL2841547 0.80 MEN1 (0.37)
SCHEMBL2841339 0.79 SSTR1 (0.32) UTS2RSSTR1SSTR4
Hydrochloric Acid SCHEMBL2837866 0.78 SSTR1 (0.31) SSTR1SSTR4

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 UTS2R 702/4885SSTR1 720/4885SSTR4 1737/4885

“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.