SCHEMBL2835987

SCHEMBL2835987

Cc1cc2c(s1)CN(C)CCC2Oc1ccc(C(N)=O)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TPH1 P17752 1/20 0.38
OPRK1 P41145 7/20 0.37
OPRM1 P35372 6/20 0.37
OPRD1 P41143 4/20 0.37
UTS2R Q9UKP6 1/20 0.35
ROCK2 O75116 3/20 0.35
KCNH2 Q12809 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
F10 P00742 1/20 0.34
CHEK2 O96017 2/20 0.34
PARP1 P09874 1/20 0.34
PARP2 Q9UGN5 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 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 SCHEMBL2836949 0.91 TPH1 (0.37) TPH1OPRK1OPRM1OPRD1UTS2R
Hydrochloric Acid SCHEMBL2837086 0.86 OPRK1 (0.38) TPH1OPRK1OPRM1OPRD1UTS2R
SCHEMBL2844034 0.84 PARP10 (0.41) OPRK1OPRM1OPRD1ROCK2KCNH2
SCHEMBL2839057 0.84 TPH1 (0.37) TPH1OPRK1OPRM1OPRD1UTS2R
Hydrochloric Acid SCHEMBL2837176 0.79 UTS2R (0.35) TPH1OPRK1OPRM1OPRD1UTS2R
SCHEMBL2840919 0.79 UTS2R (0.36) TPH1OPRK1OPRM1OPRD1UTS2R
SCHEMBL2840963 0.78 SIGMAR1 (0.35) ROCK2KMT2A
Hydrochloric Acid SCHEMBL2840295 0.78 UTS2R (0.35) TPH1OPRK1OPRM1OPRD1UTS2R
Hydrochloric Acid SCHEMBL2840393 0.77 SIGMAR1 (0.35) ROCK2KMT2A
SCHEMBL2839392 0.77 ALDH1A1 (0.34) TPH1OPRK1OPRM1OPRD1UTS2R

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 TPH1 17/4885OPRK1 3/4885OPRM1 2/4885

“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.