SCHEMBL5229468

SCHEMBL5229468

O=C(O)C1CC[CH]CCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
GABRA4 P48169 1/20 0.41
GABRE P78334 1/20 0.41
PMP22 Q01453 1/20 0.41
GABRA6 Q16445 1/20 0.41
GABRG1 Q8N1C3 1/20 0.41
GABRG3 Q99928 1/20 0.41
GABRQ Q9UN88 1/20 0.41
SLC6A1 P30531 2/20 0.40
LMNA P02545 2/20 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
SCHEMBL28848701 0.95 TSHR (0.44) TSHRGABRPGABRDGABRA1GABRB1
SCHEMBL28294126 0.93 TSHR (0.39) TSHRGABRPGABRDGABRA1GABRB1
SCHEMBL231070 0.90
Hydrochloric Acid SCHEMBL27776077 0.87 TSHR (0.46) TSHRGABRPGABRDGABRA1GABRB1
SCHEMBL3227707 0.86
SCHEMBL27553698 0.84 SLC6A1 (0.39) TSHRGABRPGABRDGABRA1GABRB1
Hydrochloric Acid SCHEMBL27553676 0.84 SLC6A1 (0.39) TSHRGABRPGABRDGABRA1GABRB1
SCHEMBL8927012 0.82 SLC6A1 (0.38) TSHRGABRPGABRDGABRA1GABRB1
SCHEMBL24004618 0.81 TSHR (0.41) TSHRGABRPGABRDGABRA1GABRB1
SCHEMBL4019111 0.81 TSHR (0.41) TSHRGABRPGABRDGABRA1GABRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220194931-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS INCYTE CORPORATION 2022-06-23 US claimed
CN-110582493-A Benzoxazole derivatives as immunomodulators 因赛特公司 2019-12-17 CN claimed
EP-3558985-A1 BENZOOXAZOLE DERIVATIVES AS IMMUNOMODULATORS Incyte Corporation (US) 2019-10-30 EP claimed
US-20180179197-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS INCYTE CORPORATION 2018-06-28 US claimed
WO-2018119266-A1 BENZOOXAZOLE DERIVATIVES AS IMMUNOMODULATORS INCYTE CORPORATION (US) 2018-06-28 WO claimed
CN-104557356-B The manufacture method of nitrile and its corresponding amine 中国石油化工股份有限公司 2017-10-10 CN claimed
US-20060025345-A1 Substituted ethane-1,2-diamines for the treatment of Alzheimer's disease BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-02-02 US claimed
WO-2005113582-A1 SUBSTITUTED ETHANE-1,2-DIAMINES FOR THE TREATMENT OF ALZHEIMER'S DISEASE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-12-01 WO claimed
CN-110582493-B Benzoxazole derivatives as immunomodulators 因赛特公司 2024-03-08 CN disclosed
US-11787793-B2 Heterocyclic compounds as immunomodulators INCYTE CORPORATION (US) 2023-10-17 US disclosed
US-20220194931-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS INCYTE CORPORATION 2022-06-23 US disclosed
CN-112469279-B Fungicides for the prevention and control of fungal pathogens 洛桑大学 2022-05-31 CN disclosed
US-11339149-B2 Heterocyclic compounds as immunomodulators INCYTE CORPORATION (US) 2022-05-24 US disclosed
US-20210107900-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS INCYTE CORPORATION 2021-04-15 US disclosed
EP-0609625-A1 Inhibitors of HIV protease useful for the treatment of AIDS ELI LILLY AND COMPANY (US) 1994-08-10 EP disclosed
EP-0604184-A1 Inhibitors of HIV protease useful for the treatment of aids ELI LILLY AND COMPANY (US) 1994-06-29 EP disclosed
EP-0604185-A1 Inhibitors of HIV protease useful for the treatment of aids ELI LILLY AND COMPANY (US) 1994-06-29 EP disclosed
EP-0604186-A1 Inhibitors of HIV protease useful for the treatment of aids ELI LILLY AND COMPANY (US) 1994-06-29 EP disclosed
EP-0604182-A2 Inhibitors of HIV protease useful for the treatment of Aids ELI LILLY AND COMPANY (US) 1994-06-29 EP disclosed
EP-0604183-A1 Inhibitors of HIV protease useful for the treatment of aids ELI LILLY AND COMPANY (US) 1994-06-29 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 (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-11339149-B2 Heterocyclic compounds as immunomodulators CD74, IL2, ICOS TSHR 2482/4885GABRP 1751/4885GABRD 1301/4885
US-20210107900-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS CD74, IL2, ICOS TSHR 2482/4885GABRP 1751/4885GABRD 1301/4885
US-20220194931-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS CD74, IL2, ICOS TSHR 2482/4885GABRP 1751/4885GABRD 1301/4885
US-20060025345-A1 Substituted ethane-1,2-diamines for the treatment of Alzheimer's disease PSEN1, PSEN2, APP TSHR 1168/4885GABRP 4124/4885GABRD 2586/4885
US-11787793-B2 Heterocyclic compounds as immunomodulators CD74, IL2, ICOS TSHR 2482/4885GABRP 1751/4885GABRD 1301/4885
US-20180179197-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS CD74, IL2, ICOS TSHR 2482/4885GABRP 1751/4885GABRD 1301/4885

“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.