SCHEMBL385172

SCHEMBL385172

[CH]1CCC(c2ccccc2)C1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 3/20 0.48
SIGMAR1 Q99720 1/20 0.48
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C1 Q04828 1/20 0.41
GRIN2B Q13224 3/20 0.38
DRD2 P14416 1/20 0.38
TRPA1 O75762 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
SRD5A1 P18405 1/20 0.37

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
SCHEMBL780217 0.89 SLC18A3 (0.43) SLC18A3SIGMAR1GAAMAPTDRD2
SCHEMBL60704 0.87 SLC18A3 (0.56) SLC18A3SIGMAR1GAAMAPTAKR1C3
SCHEMBL10405997 0.87 SLC18A3 (0.43) SLC18A3SIGMAR1DRD2TRPA1CYP2D6
SCHEMBL9517294 0.82 KDM1A (0.49)
SCHEMBL9517286 0.82 KDM1A (0.49)
SCHEMBL2013478 0.81 SLC18A3 (0.48) SLC18A3SIGMAR1GAAMAPTAKR1C3
SCHEMBL35975 0.81 SLC18A3 (0.45) SLC18A3SIGMAR1GAAMAPTAKR1C3
SCHEMBL3001780 0.81 SLC18A3 (0.45) SLC18A3SIGMAR1GAAMAPTAKR1C3
SCHEMBL29557767 0.81 SLC18A3 (0.45) SLC18A3SIGMAR1GAAMAPTAKR1C3
SCHEMBL16048164 0.79 SLC18A3 (0.48) SLC18A3SIGMAR1TRPA1CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116802179-A BCL-2 inhibitors 百济神州有限公司 2023-09-22 CN claimed
US-20230159522-A1 BCL-2 INHIBITOR BEONE MEDICINES I GMBH (CH) 2023-05-25 US claimed
EP-4136084-A1 BCL-2 INHIBITOR BeiGene, Ltd. (KY) 2023-02-22 EP claimed
US-20210371398-A1 HETEROARYL COMPOUNDS AND THEIR USE AS MER INHIBITORS DONG A SOCIO HOLDINGS CO LTD (KR) 2021-12-02 US claimed
WO-2021208963-A1 BCL-2 INHIBITOR BEIGENE, LTD. (KY) 2021-10-21 WO claimed
US-20190315716-A1 HETEROARYL COMPOUNDS AND THEIR USE AS MER INHIBITORS DONG-A ST CO., LTD. (KR) 2019-10-17 US claimed
EP-3523292-A1 HETEROARYL COMPOUNDS AND THEIR USE AS MER INHIBITORS Dong-A Socio Holdings Co., Ltd. (KR) 2019-08-14 EP claimed
WO-2018071343-A1 HETEROARYL COMPOUNDS AND THEIR USE AS MER INHIBITORS DONG-A SOCIO HOLDINGS CO., LTD. (KR) 2018-04-19 WO claimed
CN-103635458-B Trpv1 antagonists 艾伯维公司 2016-10-19 CN claimed
US-7304086-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2007-12-04 US claimed
US-11970495-B2 Indolizine derivatives and their application in medicine KIND PHARMACEUTICAL (CN) 2024-04-30 US disclosed
US-11945817-B2 Indolizine derivatives and their application in medicine KIND PHARMACEUTICAL (CN) 2024-04-02 US disclosed
CN-116969937-A BCL-2 inhibitors 百济神州有限公司 2023-10-31 CN disclosed
CN-116969936-A BCL-2 inhibitors 百济神州有限公司 2023-10-31 CN disclosed
CN-116802179-A BCL-2 inhibitors 百济神州有限公司 2023-09-22 CN disclosed
EP-0913392-A1 ETHYLENE DERIVATIVES AND PEST CONTROLLING AGENTS NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1999-05-06 EP disclosed
CN-1043232-C Catalyst composition and use of same for oligomerizing or polymerizing olefins SHELL INT RESEARCH (NL) 1999-05-05 CN disclosed
US-4871864-A Carbamoyloxythiophene fungicides BAYER AKTIENGESELLSCHAFT (DE) 1989-10-03 US disclosed
US-4839381-A FUNGICIDES, PESTICIDES; RICE PLANTS BAYER AKTIENGESELLSCHAFT (DE) 1989-06-13 US disclosed
US-4757085-A Pharmaceuticals BAYER AKTIENGESELLSCHAFT (DE) 1988-07-12 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 (5 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-11970495-B2 Indolizine derivatives and their application in medicine INMT, IDO1, IDO2 SLC18A3 410/4885SIGMAR1 1467/4885GAA 2946/4885
US-20190315716-A1 HETEROARYL COMPOUNDS AND THEIR USE AS MER INHIBITORS MERTK, RET, ERBB4 SLC18A3 3712/4885SIGMAR1 1204/4885GAA 1303/4885
US-20210371398-A1 HETEROARYL COMPOUNDS AND THEIR USE AS MER INHIBITORS MERTK, RET, ERBB2 SLC18A3 3210/4885SIGMAR1 924/4885GAA 1225/4885
US-20230159522-A1 BCL-2 INHIBITOR BCL2, BCL2A1, BCL2L1 SLC18A3 4723/4885SIGMAR1 4650/4885GAA 1597/4885
US-11945817-B2 Indolizine derivatives and their application in medicine INMT, IDO1, IDO2 SLC18A3 410/4885SIGMAR1 1467/4885GAA 2946/4885

“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.