SCHEMBL4965333

SCHEMBL4965333

CC(C)CCNCc1ccc2c(c1)CCc1cc(C(N)=O)ccc1O2.CS(=O)(=O)O

nearest known ligand 0.54

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 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 11/20 0.54
OPRK1 P41145 11/20 0.54
OPRD1 P41143 10/20 0.54
CA2 P00918 1/20 0.40
HDAC1 Q13547 1/20 0.39
RAB9A P51151 2/20 0.38
TAS1R3 Q7RTX0 2/20 0.35
TAS1R1 Q7RTX1 2/20 0.35
MEN1 O00255 1/20 0.35
PKM P14618 1/20 0.35
KMT2A Q03164 1/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
PDE5A O76074 1/20 0.35

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
SCHEMBL4964601 0.96 OPRM1 (0.57) OPRM1OPRK1OPRD1CA2HDAC1
Hydrochloric Acid SCHEMBL4968080 0.95 OPRM1 (0.56) OPRM1OPRK1OPRD1CA2HDAC1
SCHEMBL4966800 0.90 OPRM1 (0.51) OPRM1OPRK1OPRD1HDAC1RAB9A
SCHEMBL4964153 0.85 OPRM1 (0.56) OPRM1OPRK1OPRD1CA2HDAC1
SCHEMBL4964149 0.83 OPRM1 (0.47) OPRM1OPRK1OPRD1CA2HDAC1
SCHEMBL4964364 0.83 OPRM1 (0.57) OPRM1OPRK1OPRD1CA2RAB9A
SCHEMBL4965646 0.82 OPRM1 (0.41) OPRM1OPRK1OPRD1CA2HDAC1
SCHEMBL4966186 0.82 OPRM1 (0.56) OPRM1OPRK1OPRD1RAB9A
SCHEMBL4968137 0.82 OPRM1 (0.43) OPRM1OPRK1OPRD1POLB
Hydrochloric Acid SCHEMBL4965277 0.82 OPRM1 (0.41) OPRM1OPRK1OPRD1CA2HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1730140-B1 OPIOID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-06-25 EP claimed
EP-1730140-B1 OPIOID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-06-25 EP disclosed
US-7288543-B2 For therapy or prophylaxis of obesity and related diseases including eating disorders (bulimia, anorexia nervosa, etc.), diabetes, diabetic complications, diabetic retinopathy, sexual/reproductive disorders, depression, anxiety, epileptic seizure, hypertension, cerebral hemorrhage ELI LILLY AND COMPANY (US) 2007-10-30 US disclosed
US-20070179129-A1 Opioid receptor antagonists ELI LILLY AND COMPANY 2007-08-02 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-20070179129-A1 Opioid receptor antagonists OPRK1, OPRM1, OPRL1 OPRM1 2/4885OPRK1 1/4885OPRD1 5/4885

“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.