SCHEMBL2996293

SCHEMBL2996293

NC(=O)C1(Nc2ccccc2)CCN(Cc2ccccc2)CC1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.68
ALDH1A1 P00352 1/20 0.68
NPFFR1 Q9GZQ6 7/20 0.66
NPFFR2 Q9Y5X5 7/20 0.66
OPRK1 P41145 3/20 0.66
OPRM1 P35372 2/20 0.66
OPRD1 P41143 2/20 0.66
CA12 O43570 1/20 0.61
CA1 P00915 1/20 0.61
CA2 P00918 1/20 0.61
CA4 P22748 1/20 0.61
CA5A P35218 1/20 0.61
CA7 P43166 1/20 0.61
CA9 Q16790 1/20 0.61
CA13 Q8N1Q1 1/20 0.61
CA14 Q9ULX7 1/20 0.61
TSHR P16473 1/20 0.56
FAAH O00519 1/20 0.51
CHRM2 P08172 1/20 0.49
CHRM3 P20309 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
SCHEMBL654357 0.92 ALDH1A1 (0.62) CYP2D6ALDH1A1NPFFR1NPFFR2OPRK1
SCHEMBL3939085 0.91 CYP2D6 (0.65) CYP2D6ALDH1A1NPFFR1NPFFR2OPRK1
SCHEMBL5556286 0.91 ALDH1A1 (0.61) CYP2D6ALDH1A1NPFFR1NPFFR2OPRK1
SCHEMBL16876726 0.91 ALDH1A1 (0.61) CYP2D6ALDH1A1NPFFR1NPFFR2OPRK1
SCHEMBL18358788 0.91 CYP2D6 (0.61) CYP2D6ALDH1A1NPFFR1NPFFR2OPRK1
SCHEMBL2985624 0.89 NPFFR1 (0.62) CYP2D6ALDH1A1NPFFR1NPFFR2OPRK1
SCHEMBL7707050 0.88 ALDH1A1 (0.61) CYP2D6ALDH1A1NPFFR1NPFFR2OPRK1
SCHEMBL20187124 0.88 ALDH1A1 (0.58) CYP2D6ALDH1A1NPFFR1NPFFR2OPRK1
SCHEMBL8893210 0.88 ALDH1A1 (0.61) CYP2D6ALDH1A1NPFFR1NPFFR2OPRK1
SCHEMBL20187134 0.88 CYP2D6 (0.58) CYP2D6ALDH1A1NPFFR1NPFFR2OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102442937-A Method for preparing 1-benzyl-4-anilinopiperidine-4-carboxylic acid SICHUAN SAINANDE TECHNOLOGY CO LTD 2012-05-09 CN claimed
CN-113480536-B Spiropiperidone derivatives 中国人民解放军海军军医大学 2024-02-23 CN disclosed
CN-117069720-A 5-HT 2A Receptor agonist, preparation method and application thereof 上海翊石医药科技有限公司 2023-11-17 CN disclosed
CN-113480536-A Spirocyclic piperidone derivatives 中国人民解放军海军军医大学 2021-10-08 CN disclosed
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-4208418-A ANTIARRHYTHMIA JANSSEN PHARMACEUTICA N.V. (BE) 1980-06-17 US disclosed
US-4198411-A ANTIARRHYTHMIC AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 1980-04-15 US disclosed
US-4197303-A ANTIARRHYTHMIA AGENTS, ALKOXYCARBONYL ON 4-POSITION OF PIPERIDINE JANSSEN PHARMACEUTICA N.V. (BE) 1980-04-08 US disclosed
US-4197304-A ANTIARRHYTHMIA AGENTS, N-PYRIDINYL-N-(4-ALKYLPIPERIDINYL)THIENYLACETAMIDES JANSSEN PHARMACEUTICA N.V. (BE) 1980-04-08 US disclosed
US-4196210-A ANTIARRHYTHMIA AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 1980-04-01 US disclosed
US-4179569-A ANALGESIC INTERMEDIATES JANSSEN PHARMACEUTICA N.V. (BE) 1979-12-18 US disclosed
US-4157393-A ANTIARRHYTHMIA AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 1979-06-05 US disclosed
US-4151286-A ANTIARRHYTHMIC AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 1979-04-24 US disclosed
US-4126689-A ANTIARRHYTHMIA JANSSEN PHARMACEUTICA N.V. (BE) 1978-11-21 US disclosed
US-3998834-A ANALGESICS JANSSEN PHARMACEUTICA N.V. (BE) 1976-12-21 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 (4 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 CYP2D6 3278/4885ALDH1A1 1320/4885NPFFR1 3034/4885
US-20180148450-A1 TRIAZA-SPIRODECANONES AS DDR1 INHIBITORS DDR1, DDR2, DDRGK1 CYP2D6 3278/4885ALDH1A1 1320/4885NPFFR1 3034/4885
US-10435407-B2 Triaza-spirodecanones as DDR1 inhibitors DDR1, DDR2, DDRGK1 CYP2D6 3278/4885ALDH1A1 1320/4885NPFFR1 3034/4885
US-10239876-B2 Triaza-spirodecanones as DDR1 inhibitors DDR1, DDR2, DDRGK1 CYP2D6 3278/4885ALDH1A1 1320/4885NPFFR1 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.