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Sugi Predict / Compounds / SCHEMBL5556286

SCHEMBL5556286

SCHEMBL5556286

NC(=O)C1(Nc2ccc(F)cc2)CCN(Cc2ccccc2)CC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.61
▸ CYP2D6 P10635 1/20 0.61
▸ NPFFR1 Q9GZQ6 4/20 0.57
▸ NPFFR2 Q9Y5X5 4/20 0.57
▸ OPRK1 P41145 2/20 0.57
▸ OPRM1 P35372 1/20 0.57
▸ OPRD1 P41143 1/20 0.57
▸ CA12 O43570 1/20 0.53
▸ CA1 P00915 1/20 0.53
▸ CA2 P00918 1/20 0.53
▸ CA4 P22748 1/20 0.53
▸ CA5A P35218 1/20 0.53
▸ CA7 P43166 1/20 0.53
▸ CA9 Q16790 1/20 0.53
▸ CA13 Q8N1Q1 1/20 0.53
▸ CA14 Q9ULX7 1/20 0.53
▸ TSHR P16473 1/20 0.51
▸ FAAH O00519 1/20 0.50
▸ JAK2 O60674 1/20 0.49
▸ JAK1 P23458 1/20 0.49

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
SCHEMBL2996293 0.91 CYP2D6 (0.68) ALDH1A1CYP2D6NPFFR1NPFFR2OPRK1
SCHEMBL11566176 0.90 FAAH (0.55) ALDH1A1CYP2D6NPFFR1NPFFR2OPRK1
SCHEMBL654357 0.89 ALDH1A1 (0.62) ALDH1A1CYP2D6NPFFR1NPFFR2OPRK1
SCHEMBL18358788 0.88 CYP2D6 (0.61) ALDH1A1CYP2D6NPFFR1NPFFR2OPRK1
SCHEMBL3939085 0.88 CYP2D6 (0.65) ALDH1A1CYP2D6NPFFR1NPFFR2OPRK1
SCHEMBL16876726 0.88 ALDH1A1 (0.61) ALDH1A1CYP2D6NPFFR1NPFFR2OPRK1
SCHEMBL16876691 0.87 CYP2D6 (0.58) ALDH1A1CYP2D6NPFFR1NPFFR2OPRK1
SCHEMBL20187134 0.87 CYP2D6 (0.58) ALDH1A1CYP2D6NPFFR1NPFFR2OPRK1
SCHEMBL16876704 0.86 CYP2D6 (0.59) ALDH1A1CYP2D6NPFFR1NPFFR2OPRK1
SCHEMBL11566839 0.86 OPRM1 (0.53) ALDH1A1CYP2D6NPFFR1NPFFR2OPRK1

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 35 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-10428049-B2 TRPA1 modulators ALGOMEDIX, INC. (US) 2019-10-01 — — 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-20190016701-A1 TRPA1 MODULATORS ALGOMEDIX, INC. (US) 2019-01-17 — — US disclosed
US-20180148450-A1 TRIAZA-SPIRODECANONES AS DDR1 INHIBITORS HOFFMANN LA-ROCHE INC. (US) 2018-05-31 — — US disclosed
US-9951046-B2 TRPA1 modulators ALGOMEDIX, INC. (US) 2018-04-24 — — US disclosed
US-9951046-B2 TRPA1 modulators ALGOMEDIX, INC. (US) 2018-04-24 — — US disclosed
CN-1081635-C Substituted pyrrolidin-3-Yl-alkyl-piperidines useful as tachykinin antagonists MERRELL DOW PHARMA (US) 2002-03-27 — — CN disclosed
US-5861416-A TREATMENT OF ASTHMA OR COUGH MERRELL PHARMACEUTICALS INC. (US) 1999-01-19 — — US disclosed
US-5824690-A TREATING ASTHMA, COUGH HOECHST MARION ROUSSEL INC. (US) 1998-10-20 — — US disclosed
EP-0696280-B1 SUBSTITUTED PYRROLIDIN-3-YL-ALKYL-PIPERIDINES USEFUL AS TACHYKININ ANTAGONISTS MERRELL PHARMA INC (US) 1997-09-24 — — EP disclosed
US-5661160-A ADMINISTERING AN ANTITUSSIVE AGENT FOR TREATING COUGH; TACHYKININ ANTAGONISM, SUBSTANCE P AND NEUROKININ A ANTAGONISM MERRELL PHARMACEUTICALS INC. (US) 1997-08-26 — — US disclosed
US-5648366-A TACHYKININ ANTAGONISTS USEFUL IN TREATING ASTHMA MERRELL PHARMACEUTICALS INC. (US) 1997-07-15 — — US disclosed
US-5635510-A TACHYKININ (ESPECIALLY SUBSTANCE P AND NEUROKININ A) ANTAGONISTS; ANTIINFLAMMATORY AGENTS, ANALGESICS; NERVOUS SYSTEM DISORDERS; BRONCHODILATOR AGENTS MERRELL PHARMACEUTICALS INC. (US) 1997-06-03 — — US disclosed
CN-1124961-A Substituted pyrrolidin-3-Yl-alkyl-piperidines useful as tachykinin antagonists MERRELL DOW PHARMA (US) 1996-06-19 — — CN disclosed
EP-0696280-A1 SUBSTITUTED PYRROLIDIN-3-YL-ALKYL-PIPERIDINES USEFUL AS TACHYKININ ANTAGONISTS MERRELL DOW PHARMA (US) 1996-02-14 — — EP disclosed
WO-1994026735-A1 SUBSTITUTED PYRROLIDIN-3-YL-ALKYL-PIPERIDINES USEFUL AS TACHYKININ ANTAGONISTS MERRELL DOW PHARMACEUTICALS INC. (US) 1994-11-24 — — 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 (6 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 ALDH1A1 1320/4885CYP2D6 3278/4885NPFFR1 3034/4885
US-10428049-B2 TRPA1 modulators TRPA1, TRPV1, TRPV2 ALDH1A1 1436/4885CYP2D6 2163/4885NPFFR1 270/4885
US-20180148450-A1 TRIAZA-SPIRODECANONES AS DDR1 INHIBITORS DDR1, DDR2, DDRGK1 ALDH1A1 1320/4885CYP2D6 3278/4885NPFFR1 3034/4885
US-10435407-B2 Triaza-spirodecanones as DDR1 inhibitors DDR1, DDR2, DDRGK1 ALDH1A1 1320/4885CYP2D6 3278/4885NPFFR1 3034/4885
US-20190016701-A1 TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 ALDH1A1 1436/4885CYP2D6 2163/4885NPFFR1 270/4885
US-10239876-B2 Triaza-spirodecanones as DDR1 inhibitors DDR1, DDR2, DDRGK1 ALDH1A1 1320/4885CYP2D6 3278/4885NPFFR1 3034/4885

“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.