SCHEMBL318858

SCHEMBL318858

CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)NCN2c1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 2/20 0.75
OPRK1 P41145 10/20 0.60
OPRM1 P35372 7/20 0.60
HTR2C P28335 3/20 0.60
AVPR1A P37288 3/20 0.60
DRD3 P35462 1/20 0.60
SLC6A9 P48067 3/20 0.57
ADORA3 P0DMS8 2/20 0.57
HTR1A P08908 1/20 0.57
SLC6A3 Q01959 1/20 0.57
OPRD1 P41143 4/20 0.55
OPRL1 P41146 4/20 0.55
HSD17B10 Q99714 1/20 0.54
SLC18A3 Q16572 1/20 0.53
GPR119 Q8TDV5 1/20 0.52

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
SCHEMBL17140870 0.89 CCR5 (0.62) CCR5OPRK1OPRM1HTR2CAVPR1A
SCHEMBL318440 0.89 CCR5 (0.62) CCR5OPRK1OPRM1HTR2CAVPR1A
SCHEMBL18940736 0.88 CCR5 (0.61) CCR5OPRK1OPRM1HTR2CAVPR1A
SCHEMBL318445 0.88 CCR5 (0.61) CCR5OPRK1OPRM1HTR2CAVPR1A
SCHEMBL14057360 0.87 CCR5 (0.62) CCR5OPRK1OPRM1HTR2CAVPR1A
SCHEMBL17141010 0.86 CCR5 (0.59) CCR5OPRK1OPRM1HTR2CAVPR1A
SCHEMBL17141181 0.85 ALDH1A1 (0.59) CCR5OPRK1OPRM1HTR2CAVPR1A
SCHEMBL17149522 0.84 CCR5 (0.57) CCR5OPRK1OPRM1HTR2CAVPR1A
SCHEMBL13925107 0.83 OPRK1 (0.59) CCR5OPRK1OPRM1HTR2CAVPR1A
SCHEMBL21634299 0.83 HSD17B10 (0.62) OPRK1OPRM1HTR2CAVPR1ADRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107849044-B Triaza-spirodecanones as DDR1 inhibitors 豪夫迈·罗氏有限公司 2021-06-25 CN disclosed
EP-3317279-B1 TRIAZA-SPIRODECANONES AS DDR1 INHIBITORS HOFFMANN LA ROCHE (CH) 2021-01-27 EP disclosed
US-10435407-B2 Triaza-spirodecanones as DDR1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2019-10-08 US disclosed
US-20190225611-A1 SUBSTITUTED SPIROCYCLIC INHIBITORS OF AUTOTAXIN X-RX, INC. 2019-07-25 US disclosed
US-20190169189-A1 TRIAZA-SPIRODECANONES AS DDR1 INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2019-06-06 US disclosed
US-10239876-B2 Triaza-spirodecanones as DDR1 inhibitors HOFFMAN LA-ROCHE INC. (US) 2019-03-26 US disclosed
US-10233182-B2 Substituted spirocyclic inhibitors of autotaxin X-RX, INC. (US) 2019-03-19 US disclosed
US-20180282332-A1 SUBSTITUTED SPIROCYCLIC INHIBITORS OF AUTOTAXIN X-RX, INC. 2018-10-04 US disclosed
US-10011601-B2 Substituted spirocyclic inhibitors of autotaxin X-RX, INC. (US) 2018-07-03 US disclosed
US-20180148450-A1 TRIAZA-SPIRODECANONES AS DDR1 INHIBITORS HOFFMANN LA-ROCHE INC. (US) 2018-05-31 US disclosed
WO-2004104004-A2 TRIAZA-SPIRO COMPOUNDS AS NOCICEPTIN ANALOGUES AND USES THEREOF ZEALAND PHARMA A/S (DK) 2004-12-02 WO disclosed
WO-2004076455-A1 SPIRO-SUBSTITUTED PYRROLOPYRIMIDINES NOVARTIS AG (CH) 2004-09-10 WO disclosed
WO-2004076455-A1 SPIRO-SUBSTITUTED PYRROLOPYRIMIDINES NOVARTIS AG (CH) 2004-09-10 WO disclosed
US-20030171370-A1 Phenoxyalkylamine derivatives useful as opioid receptor agonists MEIJI SEIKA KAISHA, LTD. (JP) 2003-09-11 US disclosed
EP-1256575-A1 PHENOXYALKYLAMINE DERIVATIVES USEFUL AS OPIOID DELTA RECEPTOR AGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2002-11-13 EP disclosed
EP-1087770-A4 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2001-11-14 EP disclosed
EP-1087770-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2001-04-04 EP disclosed
US-6172076-B1 HETEROCYCLE-SUBSTITUTED 1,3,8-TRIAZASPIRO(4,5)DECANE DERIVATIVES; TREATING ARTERIOSCLEROSIS MERCK & CO., INC. 2001-01-09 US disclosed
WO-1999065494-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1999-12-23 WO disclosed
US-5610142-A Bradykinin antagonist pseudopeptide derivatives of substituted 4-keto-1,3,8-triazaspiro[4.5]decan-3-alkanoic acids SCIOS INC. (US) 1997-03-11 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 (9 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-20190169189-A1 TRIAZA-SPIRODECANONES AS DDR1 INHIBITORS DDR1, DDR2, DDRGK1 CCR5 1465/4885OPRK1 3749/4885OPRM1 4280/4885
US-20180148450-A1 TRIAZA-SPIRODECANONES AS DDR1 INHIBITORS DDR1, DDR2, DDRGK1 CCR5 1465/4885OPRK1 3749/4885OPRM1 4280/4885
US-20030171370-A1 Phenoxyalkylamine derivatives useful as opioid receptor agonists OPRM1, OPRK1, OPRD1 CCR5 417/4885OPRK1 2/4885OPRM1 1/4885
US-10435407-B2 Triaza-spirodecanones as DDR1 inhibitors DDR1, DDR2, DDRGK1 CCR5 1465/4885OPRK1 3749/4885OPRM1 4280/4885
US-10233182-B2 Substituted spirocyclic inhibitors of autotaxin ENPP2, CXCR3, SLC10A1 CCR5 36/4885OPRK1 777/4885OPRM1 2659/4885
US-10239876-B2 Triaza-spirodecanones as DDR1 inhibitors DDR1, DDR2, DDRGK1 CCR5 1465/4885OPRK1 3749/4885OPRM1 4280/4885
US-20180282332-A1 SUBSTITUTED SPIROCYCLIC INHIBITORS OF AUTOTAXIN ENPP2, CXCR3, SLC10A1 CCR5 36/4885OPRK1 777/4885OPRM1 2659/4885
US-20190225611-A1 SUBSTITUTED SPIROCYCLIC INHIBITORS OF AUTOTAXIN ENPP2, SLC10A1, CXCR3 CCR5 37/4885OPRK1 770/4885OPRM1 2568/4885
US-10011601-B2 Substituted spirocyclic inhibitors of autotaxin ENPP2, SLC10A1, CXCR3 CCR5 37/4885OPRK1 770/4885OPRM1 2568/4885

“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.