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Sugi Predict / Compounds / SCHEMBL1640719

SCHEMBL1640719

SCHEMBL1640719

CNC(=O)CN1CN(c2ccccc2)C2(CCNCC2)C1=O

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 4/20 0.57
▸ OPRL1 P41146 4/20 0.57
▸ OPRD1 P41143 3/20 0.57
▸ OPRK1 P41145 3/20 0.57
▸ DRD2 P14416 1/20 0.57
▸ DRD3 P35462 1/20 0.57
▸ DDR1 Q08345 1/20 0.57
▸ BDKRB2 P30411 1/20 0.57
▸ ENPP2 Q13822 3/20 0.56
▸ DRD5 P21918 1/20 0.53
▸ NPC1L1 Q9UHC9 9/20 0.52
▸ MEN1 O00255 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ KMT2A Q03164 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
SCHEMBL20822346 0.87 DDR1 (0.58) OPRM1OPRL1OPRD1OPRK1DRD2
SCHEMBL12893390 0.87 BDKRB2 (0.74) OPRM1OPRL1OPRD1OPRK1DDR1
SCHEMBL173699 0.87 BDKRB2 (0.59) OPRM1OPRL1OPRD1OPRK1DDR1
Hydrochloric Acid SCHEMBL20187149 0.86 DDR1 (0.57) OPRM1OPRL1OPRD1OPRK1DRD2
SCHEMBL20187220 0.86 OPRL1 (0.63) OPRM1OPRL1OPRD1OPRK1DDR1
SCHEMBL20822345 0.86 DDR1 (0.65) OPRM1OPRL1OPRD1OPRK1DRD2
Hydrochloric Acid SCHEMBL20187231 0.85 DDR1 (0.64) OPRM1OPRL1OPRD1OPRK1DRD2
SCHEMBL20187192 0.84 DDR1 (0.64) DDR1
Hydrochloric Acid SCHEMBL20187033 0.83 DDR1 (0.63) DDR1
SCHEMBL18972830 0.82 BDKRB2 (0.55) OPRM1OPRL1OPRD1OPRK1BDKRB2

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 29 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-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-20180148450-A1 TRIAZA-SPIRODECANONES AS DDR1 INHIBITORS HOFFMANN LA-ROCHE INC. (US) 2018-05-31 — — US disclosed
US-20130131041-A1 SPIROCYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2013-05-23 — — US disclosed
US-20130131041-A1 SPIROCYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2013-05-23 — — US disclosed
US-20130131041-A1 SPIROCYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2013-05-23 — — US disclosed
US-8349825-B2 Spirocyclic compounds MERCK SHARP & DOHME CORP. (US) 2013-01-08 — — US disclosed
US-20090209566-A1 Spirocyclic Compounds MERCK SHARP & DOHME LLC 2009-08-20 — — US disclosed
US-20090209566-A1 Spirocyclic Compounds MERCK SHARP & DOHME LLC 2009-08-20 — — US disclosed
EP-1954698-B1 SPIROCYCLIC COMPOUNDS AS HDAC INHIBITORS MERCK & CO INC (US) 2009-06-24 — — EP disclosed
US-7544695-B2 Spirocyclic compounds MERCK & CO., INC. (US) 2009-06-09 — — US disclosed
US-7544695-B2 Spirocyclic compounds MERCK & CO., INC. (US) 2009-06-09 — — US disclosed
US-7544695-B2 Spirocyclic compounds MERCK & CO., INC. (US) 2009-06-09 — — US disclosed
WO-2007061978-A1 SPIROCYCLIC COMPOUNDS AS HDAC INHIBITORS MERCK & CO., INC. (US) 2007-05-31 — — WO disclosed
US-20070117824-A1 Spirocyclic compounds MERCK SHARP & DOHME LLC 2007-05-24 — — US disclosed
US-20070117824-A1 Spirocyclic compounds MERCK SHARP & DOHME LLC 2007-05-24 — — US disclosed
US-20070117824-A1 Spirocyclic compounds MERCK SHARP & DOHME LLC 2007-05-24 — — 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-20190169189-A1 TRIAZA-SPIRODECANONES AS DDR1 INHIBITORS DDR1, DDR2, DDRGK1 OPRM1 4280/4885OPRL1 2399/4885OPRD1 2687/4885
US-20180148450-A1 TRIAZA-SPIRODECANONES AS DDR1 INHIBITORS DDR1, DDR2, DDRGK1 OPRM1 4280/4885OPRL1 2399/4885OPRD1 2687/4885
US-10435407-B2 Triaza-spirodecanones as DDR1 inhibitors DDR1, DDR2, DDRGK1 OPRM1 4280/4885OPRL1 2399/4885OPRD1 2687/4885
US-20090209566-A1 Spirocyclic Compounds NR1H2, RORA, NR2E3 OPRM1 2431/4885OPRL1 703/4885OPRD1 597/4885
US-10239876-B2 Triaza-spirodecanones as DDR1 inhibitors DDR1, DDR2, DDRGK1 OPRM1 4280/4885OPRL1 2399/4885OPRD1 2687/4885
US-20070117824-A1 Spirocyclic compounds BRDT, TXNRD3, HDAC1 OPRM1 4753/4885OPRL1 2781/4885OPRD1 3534/4885
US-20130131041-A1 SPIROCYCLIC COMPOUNDS BRDT, TXNRD3, HDAC1 OPRM1 4753/4885OPRL1 2781/4885OPRD1 3534/4885

“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.