SCHEMBL2355554

SCHEMBL2355554

COC(=O)c1cccc2c1CCNC2

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CD44 P16070 2/20 0.49
TRPA1 O75762 4/20 0.45
CHRM3 P20309 1/20 0.44
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
PNMT P11086 1/20 0.41
MAOB P27338 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CFTR P13569 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL29609011 1.00 CD44 (0.49) CD44TRPA1CHRM3LMNATSHR
Hydrochloric Acid SCHEMBL4438179 0.98 CD44 (0.47) CD44TRPA1CHRM3LMNATSHR
SCHEMBL29801456 0.88 PNMT (0.49) TRPA1LMNATSHRPNMT
SCHEMBL567532 0.88 PNMT (0.49) TRPA1LMNATSHRPNMT
Hydrochloric Acid SCHEMBL4158562 0.87 PNMT (0.47) TRPA1LMNATSHRPNMT
Hydrochloric Acid SCHEMBL30319882 0.87 PNMT (0.47) TRPA1LMNATSHRPNMT
SCHEMBL6095089 0.86 TRPA1 (0.48) TRPA1CHRM3LMNATSHRALDH1A1
Hydrochloric Acid SCHEMBL29877364 0.84 TRPA1 (0.47) TRPA1CHRM3LMNATSHRALDH1A1
Hydrochloric Acid SCHEMBL6093232 0.84 TRPA1 (0.47) TRPA1CHRM3LMNATSHRALDH1A1
SCHEMBL20944698 0.84 TSHR (0.50) CD44TSHRALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 WO claimed
CN-115073474-A Pyrrolo [2,3-b ] pyrazines as HPK1 inhibitors and uses thereof 百济神州有限公司 2022-09-20 CN disclosed
CN-115028639-A Pyrrolo [2,3-b ] pyrazines as HPK1 inhibitors and uses thereof 百济神州有限公司 2022-09-09 CN disclosed
CN-114096536-A Pyrrolo [2,3-b ] pyrazines as HPK1 inhibitors and uses thereof 百济神州有限公司 2022-02-25 CN disclosed
CN-108602811-B FXR receptor agonists 轩竹生物科技有限公司 2021-11-16 CN disclosed
EP-3194367-B1 TETRAHYDROISOQUINOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR THE TREATMENT OF OBESITY AND DIABETES BOEHRINGER INGELHEIM INT (DE) 2021-08-18 EP disclosed
EP-3194367-B1 TETRAHYDROISOQUINOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR THE TREATMENT OF OBESITY AND DIABETES BOEHRINGER INGELHEIM INT (DE) 2021-08-18 EP disclosed
CN-108602811-A FXR receptor stimulating agents 山东轩竹医药科技有限公司 2018-09-28 CN disclosed
WO-2017133521-A1 FXR RECEPTOR AGONIST 山东轩竹医药科技有限公司 2017-08-10 WO disclosed
CN-107001278-A Tetrahydro isoquinoline derivative UCB生物制药私人有限公司 2017-08-01 CN disclosed
US-8338455-B2 Pyridines or pyrimidines having 4-(hydrogenated 1-pyridyl- or hydrogenated 1-isoquinolyl rings, e.g., N-(4-chlorophenyl)-2-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide; kinase inhibitors; inflammation, angiogenesis and cancer AMGEN INC. (US) 2012-12-25 US disclosed
EP-2118088-B1 Heterocyclic compounds and their use in treating inflammation, angiogenesis and cancer AMGEN INC (US) 2012-05-30 EP disclosed
WO-2011103196-A1 ARYL CARBOXAMIDE DERIVATIVES AS SODIUM CHANNEL INHIBITORS FOR TREATMENT OF PAIN AMGEN INC. (US) 2011-08-25 WO disclosed
US-20100173899-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-07-08 US disclosed
WO-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 WO disclosed
EP-2152664-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS Brystol-Myers Squibb Company (US) 2010-02-17 EP disclosed
WO-2008157162-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-24 WO disclosed
US-20080161346-A1 Compounds and methods of use AMGEN INC. (US) 2008-07-03 US disclosed
US-20080161346-A1 Compounds and methods of use AMGEN INC. (US) 2008-07-03 US disclosed
WO-2008079292-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE IN TREATING INFLAMMATION, ANGIOGENESIS AND CANCER AMGEN INC. (US) 2008-07-03 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 (2 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-20080161346-A1 Compounds and methods of use VHL, VEGFA, FLT1 CD44 698/4885TRPA1 3965/4885CHRM3 3400/4885
US-20100173899-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS F11, TFPI, SERPINC1 CD44 4314/4885TRPA1 4723/4885CHRM3 4792/4885

“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.