SCHEMBL7692832

SCHEMBL7692832

CN(C(=O)Cc1ccc(C(F)(F)F)cc1)[C@@H](CN1CCCC1)c1cccc(O)c1.CS(=O)(=O)O

nearest known ligand 0.91

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 17/20 0.91
OPRM1 P35372 2/20 0.59
OPRD1 P41143 2/20 0.59
CYP2D6 P10635 3/20 0.57
CYP3A4 P08684 1/20 0.57
TSHR P16473 1/20 0.57
CYP2C19 P33261 1/20 0.57

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
SCHEMBL6478689 0.95 OPRK1 (1.00) OPRK1OPRD1CYP2D6CYP3A4TSHR
SCHEMBL6478692 0.95 OPRK1 (1.00) OPRK1OPRD1CYP2D6CYP3A4TSHR
SCHEMBL8097254 0.89 OPRK1 (0.92) OPRK1OPRM1OPRD1CYP2D6CYP3A4
Hydrochloric Acid SCHEMBL6479733 0.88 OPRK1 (0.98) OPRK1OPRM1OPRD1CYP2D6
Hydrochloric Acid SCHEMBL6479735 0.88 OPRK1 (0.98) OPRK1OPRM1OPRD1CYP2D6
SCHEMBL8197775 0.86 OPRK1 (0.73) OPRK1OPRM1OPRD1CYP2D6CYP3A4
SCHEMBL8197783 0.86 OPRK1 (0.73) OPRK1OPRM1OPRD1CYP2D6CYP3A4
SCHEMBL17873667 0.85 OPRK1 (1.00) OPRK1OPRD1CYP2D6
SCHEMBL17873664 0.85 OPRK1 (1.00) OPRK1OPRD1CYP2D6
SCHEMBL9510585 0.85 OPRK1 (1.00) OPRK1CYP2D6CYP3A4TSHRCYP2C19

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020103164-A1 Kappa agonist compounds, pharmaceutical formulations and method of prevention and treatment of pruritus therewith ADOLOR CORPORATION 2002-08-01 US 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-20020103164-A1 Kappa agonist compounds, pharmaceutical formulations and method of prevention and treatment of pruritus therewith OPRK1, OPRD1, HRH4 OPRK1 1/4885OPRM1 8/4885OPRD1 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.