SCHEMBL2837859

SCHEMBL2837859

Cc1cc2c(s1)CN(C)CCC2Oc1ccccc1Br

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SSTR1 P30872 2/20 0.36
SSTR4 P31391 2/20 0.36
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
DRD1 P21728 2/20 0.34
DRD5 P21918 2/20 0.34
SCD O00767 2/20 0.33
KDM4E B2RXH2 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SLC6A2 P23975 3/20 0.32
SLC6A3 Q01959 3/20 0.32
SLC6A4 P31645 2/20 0.32
NPY1R P25929 1/20 0.32
ATM Q13315 1/20 0.32
CDYL Q9Y232 1/20 0.31
MAPT P10636 1/20 0.31
UTS2R Q9UKP6 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
SCHEMBL2844218 0.89 UTS2R (0.30) SSTR1SSTR4DRD1DRD5UTS2R
Hydrochloric Acid SCHEMBL2837102 0.86 PKM (0.34) LMNANPY1R
SCHEMBL2840628 0.84 HCRTR1 (0.36) KMT2ASLC6A2SLC6A3SLC6A4
Hydrochloric Acid SCHEMBL2841547 0.83 MEN1 (0.37) KMT2ASLC6A2SLC6A3SLC6A4
SCHEMBL2840963 0.82 SIGMAR1 (0.35) SSTR1SSTR4ALDH1A1DRD1DRD5
SCHEMBL2835922 0.81 SSTR1 (0.38) SSTR1SSTR4ALDH1A1LMNADRD1
SCHEMBL2835662 0.81 CHRNA3 (0.32) ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL2840393 0.81 SIGMAR1 (0.35) ALDH1A1DRD1DRD5KDM4EKMT2A
Hydrochloric Acid SCHEMBL2842024 0.81 SIGMAR1 (0.32) ALDH1A1KMT2A
SCHEMBL2840864 0.79 KMT2A (0.40) ALDH1A1KDM4EKMT2AMAPT

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 SSTR1 720/4885SSTR4 1737/4885ALDH1A1 66/4885

“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.