SCHEMBL6204579

SCHEMBL6204579

COc1cccc(CCNC(=O)OC(C)(C)C)c1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.58
MTNR1B P49286 2/20 0.58
CHRM2 P08172 1/20 0.56
CHRM1 P11229 1/20 0.56
CHRM3 P20309 1/20 0.56
CNR1 P21554 1/20 0.56
RAB9A P51151 2/20 0.55
ALDH1A1 P00352 2/20 0.55
POLB P06746 1/20 0.55
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
CA7 P43166 1/20 0.54
CA9 Q16790 1/20 0.54
CA14 Q9ULX7 1/20 0.54
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
NPC1 O15118 1/20 0.52
GAA P10253 1/20 0.52
TAAR1 Q96RJ0 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
SCHEMBL29828661 0.91 MTNR1A (0.48) MTNR1AMTNR1BCHRM2CHRM1CHRM3
SCHEMBL4453170 0.88 MAOB (0.55) MTNR1AMTNR1BRAB9ANPC1GAA
SCHEMBL3690675 0.87 MTNR1A (0.65) MTNR1AMTNR1BCHRM2CHRM1CHRM3
SCHEMBL5354570 0.87 FDFT1 (0.57)
SCHEMBL3418637 0.86 ALDH1A1 (0.62) RAB9AALDH1A1POLBHTTSMN1; SMN2
SCHEMBL21090366 0.86 FDFT1 (0.47) MTNR1AMTNR1BCNR1POLBCA1
SCHEMBL6202190 0.85 PLAAT3 (0.48) MTNR1AMTNR1BCNR1POLBCA1
SCHEMBL1295923 0.85 MTNR1A (0.50) MTNR1AMTNR1BRAB9AALDH1A1HTT
SCHEMBL67569 0.85 CYP2D6 (0.58) ALDH1A1HTT
SCHEMBL31506266 0.85 CYP2D6 (0.58) ALDH1A1HTT

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12617811-B2 HPK1 inhibitors and uses thereof REGOR PHARMACEUTICALS, INC. (US) 2026-05-05 US disclosed
US-12612424-B2 HPK1 inhibitors and uses thereof REGOR PHARMACEUTICALS, INC. (US) 2026-04-28 US disclosed
EP-4175951-B1 HPK1 INHIBITORS AND USES THEREOF REGOR PHARMACEUTICALS INC (US) 2024-05-01 EP disclosed
US-20230339896-A1 HPK1 INHIBITORS AND USES THEREOF REGOR PHARMACEUTICALS, INC. 2023-10-26 US disclosed
US-20230339896-A1 HPK1 INHIBITORS AND USES THEREOF REGOR PHARMACEUTICALS, INC. 2023-10-26 US disclosed
CN-116332910-A 2-aminopyrimidine derivatives as kinase inhibitors, preparation and use thereof 江苏威凯尔医药科技有限公司 2023-06-27 CN disclosed
US-20220389037-A1 HPK1 INHIBITORS AND USES THEREOF REGOR PHARMACEUTICALS, INC. 2022-12-08 US disclosed
CN-114555585-A HPK1 inhibitors and uses thereof 上海齐鲁锐格医药研发有限公司 2022-05-27 CN disclosed
CN-102056894-A Homocysteine synthase inhibitor MITSUBISHI TANABE PHARMA CORP 2011-05-11 CN disclosed
EP-1581498-A2 PYRIDINYL, PYRIMIDINYL AND PYRAZINYL AMIDES AS POTASSIUM CHANNEL OPENERS Bristol-Myers Squibb Company (US) 2005-10-05 EP disclosed
WO-2004047739-A2 PYRIDINYL, PYRIMIDINYL AND PYRAZINYL AMIDES AS POTASSIUM CHANNEL OPENERS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-06-10 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 (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-12612424-B2 HPK1 inhibitors and uses thereof NEK11, NEK1, CSNK1A1 MTNR1A 1195/4885MTNR1B 1714/4885CHRM2 1624/4885
US-12617811-B2 HPK1 inhibitors and uses thereof MAP2K4, MAP2K1, MAP2K3 MTNR1A 4529/4885MTNR1B 4274/4885CHRM2 4198/4885
US-20220389037-A1 HPK1 INHIBITORS AND USES THEREOF HIPK1, SIK1, PGK1 MTNR1A 4501/4885MTNR1B 4571/4885CHRM2 4880/4885
US-20230339896-A1 HPK1 INHIBITORS AND USES THEREOF HIPK1, MAPKAPK5, MLKL MTNR1A 4694/4885MTNR1B 4572/4885CHRM2 4879/4885

“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.