SCHEMBL18387

SCHEMBL18387

Fc1ccc(C2COCCN2)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 1/20 0.43
CSNK1E P49674 1/20 0.43
KCNH2 Q12809 1/20 0.43
PRKACA P17612 1/20 0.41
PRKACG P22612 1/20 0.41
PRKACB P22694 1/20 0.41
TACR1 P25103 8/20 0.40
ACVR1 Q04771 1/20 0.39
PRCP P42785 1/20 0.37
CTSK P43235 1/20 0.35
KDM1A O60341 1/20 0.34

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
SCHEMBL8321907 1.00 CSNK1D (0.43) CSNK1DCSNK1EKCNH2PRKACAPRKACG
SCHEMBL280628 1.00 CSNK1D (0.43) CSNK1DCSNK1EKCNH2PRKACAPRKACG
Hydrochloric Acid SCHEMBL28500586 0.98 CSNK1D (0.43) CSNK1DCSNK1EKCNH2PRKACAPRKACG
Hydrochloric Acid SCHEMBL28214300 0.98 CSNK1D (0.43) CSNK1DCSNK1EKCNH2PRKACAPRKACG
SCHEMBL2944138 0.81 CHRNA7 (0.47) PRKACAPRKACGPRKACBPRCPCTSK
SCHEMBL3399522 0.81 PRKACA (0.47) CSNK1DCSNK1EKCNH2PRKACAPRKACG
SCHEMBL14839620 0.81 PRKACA (0.41) PRKACAPRKACGPRKACBACVR1CTSK
SCHEMBL22589151 0.81 CHRNA7 (0.47) PRKACAPRKACGPRKACBPRCPCTSK
SCHEMBL21717791 0.81 MAPT (0.44) KCNH2PRKACAPRKACGPRKACBACVR1
SCHEMBL5545595 0.81 MAPT (0.44) CSNK1DCSNK1EKCNH2PRKACAPRKACG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105837526-B A kind of preparation method of the alcohol of 4 benzyl 3 (4 fluorophenyl) morpholine of the important synthetic intermediate of aprepitant (2S, 3R) 2 浙江工业大学 2018-02-27 CN claimed
CN-103214426-A Production method of aprepitant morpholine key intermediate body or aprepitant morpholine salt SHANGHAI KY PHARMACEUTICAL CO LTD 2013-07-24 CN claimed
EP-4747245-A1 PHARMACEUTICAL COMPOUNDS Almac Discovery Limited (GB) 2026-05-27 EP disclosed
US-12497395-B2 Small molecule bromodomain inhibitors and uses therof CONVERGENE, LLC 2025-12-16 US disclosed
WO-2025060911-A1 SUBSTITUTED PYRIDOTRIAZOLE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 成都奥睿药业有限公司 2025-03-27 WO disclosed
EP-4424379-A2 SMALL MOLECULE BROMODOMAIN INHIBITORS AND USES THEREOF CONVERGENE LLC (US) 2024-09-04 EP disclosed
EP-3958867-B1 SMALL MOLECULE BROMODOMAIN INHIBITORS AND USES THEREOF CONVERGENE LLC (US) 2024-06-26 EP disclosed
US-20240067631-A1 PYRAZOLE DERIVATIVES USEFUL AS NAMPT MODULATORS CYTOKINETICS, INC. 2024-02-29 US disclosed
US-20220259200-A1 SMALL MOLECULE BROMODOMAIN INHIBITORS AND USES THEROF CONVERGENE, LLC 2022-08-18 US disclosed
CN-114786675-A Small molecule bromodomain inhibitors and uses thereof 康威基内有限公司 2022-07-22 CN disclosed
CN-114478631-A Preparation of fosaprepitant dimeglumine 江苏慧聚药业股份有限公司 2022-05-13 CN disclosed
EP-0942734-A1 USE OF NK-1 RECEPTOR ANTAGONISTS FOR TREATING SEVERE ANXIETY DISORDERS MERCK SHARP & DOHME LTD. (GB) 1999-09-22 EP disclosed
US-5786367-A OXYGEN SCAVENGERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-07-28 US disclosed
WO-1998024439-A1 USE OF NK-1 RECEPTOR ANTAGONISTS FOR TREATING SEVERE ANXIETY DISORDERS MERCK SHARP & DOHME LIMITED (GB) 1998-06-11 WO disclosed
EP-0719258-A1 CYCLIC AMIDE DERIVATIVES FOR PROTECTING AGAINST ULTRAVIOLET RAYS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-07-03 EP disclosed
WO-1996002508-A1 CYCLIC AMIDE DERIVATIVES FOR PROTECTING AGAINST ULTRAVIOLET RAYS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-02-01 WO disclosed
CN-1022685-C Hydrofluorene derivatives OTSUKA PHARMA CO LTD (JP) 1993-11-10 CN disclosed
US-5017724-A Antihypoxic, CNS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-05-21 US disclosed
EP-0267024-B1 HYDROFLUORENE DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-05-02 EP disclosed
EP-0267024-A2 Hydrofluorene derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-05-11 EP 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 (3 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-12497395-B2 Small molecule bromodomain inhibitors and uses therof BRD4, BRPF3, BICRA CSNK1D 1687/4885CSNK1E 1103/4885KCNH2 4706/4885
US-20240067631-A1 PYRAZOLE DERIVATIVES USEFUL AS NAMPT MODULATORS NAMPT, NNT, NAPRT CSNK1D 1427/4885CSNK1E 2305/4885KCNH2 4122/4885
US-20220259200-A1 SMALL MOLECULE BROMODOMAIN INHIBITORS AND USES THEROF BRPF3, BRDT, BRD3 CSNK1D 657/4885CSNK1E 364/4885KCNH2 4784/4885

“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.