SCHEMBL8074259

SCHEMBL8074259

COc1ccc2c(c1)CC[C@H](C(=O)O)C2

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.56
CA2 P00918 3/20 0.56
ACHE P22303 3/20 0.56
MTNR1A P48039 1/20 0.53
MTNR1B P49286 1/20 0.53
DRD2 P14416 2/20 0.51
DRD3 P35462 2/20 0.51
CYP26A1 O43174 1/20 0.51
FAAH O00519 7/20 0.49
CYP19A1 P11511 1/20 0.48
CYP1A2 P05177 1/20 0.48
GAA P10253 1/20 0.47
FFAR1 O14842 1/20 0.46

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
SCHEMBL345517 1.00 CA1 (0.56) CA1CA2ACHEMTNR1AMTNR1B
SCHEMBL8603749 1.00 CA1 (0.56) CA1CA2ACHEMTNR1AMTNR1B
SCHEMBL345882 0.94 MTNR1A (0.60) CA1CA2ACHEMTNR1AMTNR1B
SCHEMBL345881 0.94 MTNR1A (0.60) CA1CA2ACHEMTNR1AMTNR1B
SCHEMBL8603880 0.94 MTNR1A (0.60) CA1CA2ACHEMTNR1AMTNR1B
SCHEMBL970670 0.88 CA1 (0.56) CA1CA2ACHEMTNR1AMTNR1B
SCHEMBL10225789 0.87 MTNR1A (0.51) CA1CA2ACHEMTNR1AMTNR1B
SCHEMBL8066286 0.87 CA1 (0.59) CA1CA2ACHEMTNR1AMTNR1B
SCHEMBL9361562 0.87 CA1 (0.55) CA1CA2ACHEMTNR1AMTNR1B
SCHEMBL8076235 0.87 CA1 (0.55) CA1CA2ACHEMTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0683236-B1 Enzymatic process for the preparation of optical active tetralin-derivatives SANOFI SYNTHELABO (FR) 2000-08-09 EP claimed
EP-0683236-A1 Enzymatic process for the preparation of optical active tetralin-derivatives SANOFI (FR) 1995-11-22 EP claimed
EP-0678579-A1 Enzymatic process for the preparation of optical active tetralin-derivatives MIDY S.p.A. (IT) 1995-10-25 EP claimed
US-20120178781-A1 KAPPA OPIOID RECEPTOR LIGANDS RESEARCH TRIANGLE INSTITUTE (US) 2012-07-12 US disclosed
US-8173678-B2 Kappa opioid receptor ligands RESEARCH TRIANGLE INSTITUTE (US) 2012-05-08 US disclosed
EP-1848275-B1 KAPPA OPIOID RECEPTOR LIGANDS RES TRIANGLE INST (US) 2012-05-02 EP disclosed
US-20110065743-A1 KAPPA OPIOID RECEPTOR LIGANDS RESEARCH TRIANGLE INSTITUTE (US) 2011-03-17 US disclosed
US-7872023-B2 administering 6-Hydroxy-1,2,3,4-tetrahydro-naphthalene-2(-)-carboxylic acid{1-[4-(3-hydroxyphenyl)-(3R)-(4R)-trans-dimethyl-piperidinylmethyl]-(2S)-methylpropyl}-amide, for the treatment of drug abuse and dependence RESEARCH TRIANGLE INSTITUTE (US) 2011-01-18 US disclosed
US-5719308-A Enzymatic process for the preparation of optically active tetralin derivatives SANOFI (FR) 1998-02-17 US disclosed
US-5573949-A Enzymatic process for the preparation of optically active Tetrahydro-2-naphthoic acids SANOFI (FR) 1996-11-12 US disclosed
US-5130339-A Intestine and uterine motility modulators for reduction of intraocular pressure for glaucoma treatment SANOFI (FR) 1992-07-14 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 (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-20110065743-A1 KAPPA OPIOID RECEPTOR LIGANDS OPRK1, OPRD1, OPRM1 CA1 3185/4885CA2 4530/4885ACHE 929/4885
US-20120178781-A1 KAPPA OPIOID RECEPTOR LIGANDS OPRK1, OPRD1, OPRM1 CA1 3185/4885CA2 4530/4885ACHE 929/4885

“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.