SCHEMBL13664907

SCHEMBL13664907

CC(C)N1CCC2(C=Cc3ccccc32)CC1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OXTR P30559 1/20 0.53
CYP2D6 P10635 1/20 0.47
HSD11B1 P28845 1/20 0.47

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
SCHEMBL14112075 0.91 OXTR (0.48) OXTRCYP2D6HSD11B1
SCHEMBL4408255 0.84 OXTR (0.48) OXTRHSD11B1
SCHEMBL8472020 0.81 OXTR (0.57) OXTRHSD11B1
Hydrochloric Acid SCHEMBL7383656 0.80 OXTR (0.55) OXTRHSD11B1
SCHEMBL4233731 0.79 OXTR (0.46) OXTRHSD11B1
SCHEMBL15717910 0.78 OXTR (0.51) OXTRHSD11B1
SCHEMBL12183908 0.78 OXTR (0.54) OXTRHSD11B1
SCHEMBL14671958 0.78 OXTR (0.54) OXTRHSD11B1
SCHEMBL1671212 0.78 OXTR (0.54) OXTRHSD11B1
SCHEMBL8012161 0.77 MCHR2 (0.58) OXTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3138834-B1 CYCLOHEXENE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING METABOLIC DISEASES, CONTAINING SAME AS ACTIVE INGREDIENT HYUNDAI PHARM CO LTD (KR) 2020-03-04 EP disclosed
US-20180134707-A1 AZASPIRO[4.5]DECANE DERIVATIVES AND USE THEREOF PURDUE PHARMA L.P. 2018-05-17 US disclosed
US-9884865-B2 Azaspiro[4.5] decane derivatives and use thereof PURDUE PHARMA L.P. (US) 2018-02-06 US disclosed
US-9868763-B2 Modulators of protease activated receptors THE UNIVERSITY OF QUEENSLAND (AU) 2018-01-16 US disclosed
US-9868763-B2 Modulators of protease activated receptors THE UNIVERSITY OF QUEENSLAND (AU) 2018-01-16 US disclosed
US-9834563-B2 Antidiabetic substituted heteroaryl compounds MERCK SHARP & DOHME CORP. (US) 2017-12-05 US disclosed
US-9834563-B2 Antidiabetic substituted heteroaryl compounds MERCK SHARP & DOHME CORP. (US) 2017-12-05 US disclosed
EP-2864331-B1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 BRISTOL MYERS SQUIBB CO (US) 2017-08-09 EP disclosed
US-9701711-B2 Modulators of protease activated receptors THE UNIVERSITY OF QUEENSLAND (AU) 2017-07-11 US disclosed
US-9682980-B2 Positive allosteric modulators of mGluR2 BRISTOL-MYERS SQUIBB COMPANY (US) 2017-06-20 US disclosed
US-20150152113-A1 Positive Allosteric Modulators of MGLUR2 BRISTOL-MYERS SQUIBB COMPANY 2015-06-04 US disclosed
US-20150038402-A1 MODULATORS OF PROTEASE ACTIVATED RECEPTORS UNIV QUEENSLAND (AU) 2015-02-05 US disclosed
US-8927503-B2 Modulations of protease activated receptors THE UNIVERSITY OF QUEENSLAND (AU) 2015-01-06 US disclosed
US-8901085-B2 2014-12-02 US disclosed
US-20140315796-A1 MODULATORS OF PROTEASE ACTIVATED RECEPTORS THE UNIVERSITY OF QUEENSLAND (AU) 2014-10-23 US disclosed
US-8754107-B2 Aminopyrrolidines as chemokine receptor antagonists ABBVIE INC. (US) 2014-06-17 US disclosed
US-20130184226-A1 MODULATIONS OF PROTEASE ACTIVATED RECEPTORS THE UNIVERSITY OF QUEENSLAND (AU) 2013-07-18 US disclosed
US-20090247560-A1 Diaryl ketimine derivative BANYU PHARMACEUTICAL CO., LTD. 2009-10-01 US disclosed
US-20080176883-A1 Antiinflammtory, antiproliferative, anticancer agents; (3-Hydroxy-pyrrolidin-1-yl)-(3-trifluoromethyl-7,8-dihydro-5H-[1,6]naphthyridin-6-yl)-methanone ABBVIE INC. 2008-07-24 US disclosed
US-20080176883-A1 Antiinflammtory, antiproliferative, anticancer agents; (3-Hydroxy-pyrrolidin-1-yl)-(3-trifluoromethyl-7,8-dihydro-5H-[1,6]naphthyridin-6-yl)-methanone ABBVIE INC. 2008-07-24 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 (7 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-20080176883-A1 Antiinflammtory, antiproliferative, anticancer agents; (3-Hydroxy-pyrrolidin-1-yl)-(3-trifluoromethyl-7,8-dihydro-5H-[1,6]naphthyridin-6-yl)-methanone MIF, CCL5, CCR2 OXTR 796/4885CYP2D6 519/4885HSD11B1 251/4885
US-20180134707-A1 AZASPIRO[4.5]DECANE DERIVATIVES AND USE THEREOF TRPV1, SCN5A, TRPA1 OXTR 239/4885CYP2D6 266/4885HSD11B1 830/4885
US-20150152113-A1 Positive Allosteric Modulators of MGLUR2 GRM2, GRM1, GRIN2A OXTR 220/4885CYP2D6 3912/4885HSD11B1 3396/4885
US-20130184226-A1 MODULATIONS OF PROTEASE ACTIVATED RECEPTORS F2R, F2RL1, F2RL3 OXTR 1985/4885CYP2D6 1831/4885HSD11B1 1135/4885
US-20140315796-A1 MODULATORS OF PROTEASE ACTIVATED RECEPTORS F2R, F2RL1, F2RL3 OXTR 2027/4885CYP2D6 2733/4885HSD11B1 742/4885
US-20090247560-A1 Diaryl ketimine derivative NR0B2, NR2C2, NR3C2 OXTR 923/4885CYP2D6 317/4885HSD11B1 38/4885
US-20150038402-A1 MODULATORS OF PROTEASE ACTIVATED RECEPTORS F2R, F2RL1, F2RL3 OXTR 2067/4885CYP2D6 1719/4885HSD11B1 1246/4885

“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.