SCHEMBL145501

SCHEMBL145501

CCOC(=O)C1(c2ccccc2)CCN(CCC=C2c3ccccc3CCc3ccccc32)CC1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 9/20 0.61
OPRD1 P41143 7/20 0.61
OPRK1 P41145 6/20 0.61
SLC22A1 O15245 1/20 0.61
SLC6A4 P31645 1/20 0.61
ADRA1A P35348 1/20 0.61
KCNH2 Q12809 1/20 0.61
KCNA3 P22001 3/20 0.59
MEN1 O00255 1/20 0.53
LMNA P02545 1/20 0.53
KMT2A Q03164 1/20 0.53
TDP1 Q9NUW8 1/20 0.53

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
SCHEMBL8191292 0.94 OPRM1 (0.58) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL8186016 0.92 OPRM1 (0.60) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL5307020 0.88 OPRM1 (0.61) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL7603077 0.86 HRH1 (0.46) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL7605289 0.84 HRH1 (0.45) OPRM1OPRK1SLC22A1SLC6A4ADRA1A
Hydrochloric Acid SCHEMBL8186699 0.83 HRH1 (0.45) OPRM1OPRD1OPRK1MEN1LMNA
SCHEMBL7609144 0.80 TET3 (0.46) OPRM1OPRK1SLC6A4ADRA1AKCNH2
SCHEMBL11712840 0.79 OPRM1 (0.82) OPRM1OPRD1OPRK1SLC22A1SLC6A4
Hydrochloric Acid SCHEMBL8191035 0.79 TET3 (0.45) OPRM1OPRK1SLC6A4ADRA1AKCNH2
SCHEMBL11601769 0.78 OPRM1 (0.80) OPRM1OPRD1OPRK1SLC22A1SLC6A4

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 57 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130204238-A1 COMBINATION THERAPY FOLLICA, INC (US) 2013-08-08 US disclosed
US-8252749-B2 Methods, kits, and compositions for generating new hair follicles and growing hair FOLLICA, INC. (US) 2012-08-28 US disclosed
US-20120156228-A1 Methods, Kits, and Compositions for Generating New Hair Follicles and Growing Hair FOLLICA, INC. (US) 2012-06-21 US disclosed
US-20120058979-A1 METHODS AND REAGENTS FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS ZALICUS INC. (US) 2012-03-08 US disclosed
US-8080553-B2 Methods and reagents for the treatment of immunoinflammatory disorders ZALICUS INC. (US) 2011-12-20 US disclosed
US-20110130706-A1 SEQUENTIAL BODY SURFACE TREATMENT FOLLICA, INC. (US) 2011-06-02 US disclosed
US-20110130711-A1 HAIR GROWTH TREATMENT FOLLICA, INC. (US) 2011-06-02 US disclosed
US-20110130748-A1 BODY SURFACE TREATMENT FOLLICA, INC. (US) 2011-06-02 US disclosed
EP-2301628-A1 Methods and reagents for the treatment of immunoinflammatory disorders Zalicus Inc. (US) 2011-03-30 EP disclosed
US-20100298760-A1 METHODS, KITS, AND COMPOSITIONS FOR ADMINISTERING PHARMACEUTICAL COMPOUNDS PURETECH VENTURES 2010-11-25 US disclosed
EP-0738262-B1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK AS (DK) 2000-04-19 EP disclosed
US-6048856-A ANALGESICS; ANTIINFLAMMATORY AGENTS NOVO NORDISK A/S (DK) 2000-04-11 US disclosed
US-6043239-A N-SUBSTITUTED AZAHETEROCYCLIC CARBOXYLIC ACIDS AND ESTERS THEREOF IN WHICH A SUBSTITUTED ALKYL CHAIN FORMS PART OF THE N-SUBSTITUENT; TREATMENT OF PAINFUL, HYPERALGESIC AND/OR INFLAMMATORY CONDITIONS NOVO NORDISK A/S (DK) 2000-03-28 US disclosed
WO-1999031058-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1999-06-24 WO disclosed
EP-0820451-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1998-01-28 EP disclosed
US-5668129-A ANTIINFLAMMATORY AGENTS, ANALGESICS OR ANTIDIABETIC AGENTS NOVO NORDISK A/S (DK) 1997-09-16 US disclosed
US-5595989-A ANTIINFLAMMATORY AGENTS AND ANTIDIABETIC AGENTS NOVO NORDISK A/S (DK) 1997-01-21 US disclosed
EP-0738262-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1996-10-23 EP disclosed
WO-1996031498-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1996-10-10 WO disclosed
WO-1995018793-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1995-07-13 WO 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 (2 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-20120156228-A1 Methods, Kits, and Compositions for Generating New Hair Follicles and Growing Hair NGF, HDGF, SHH OPRM1 4860/4885OPRD1 4845/4885OPRK1 4835/4885
US-20120058979-A1 METHODS AND REAGENTS FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS IL5, TPMT, TSLP OPRM1 4354/4885OPRD1 4223/4885OPRK1 3313/4885

“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.