SCHEMBL620974

SCHEMBL620974

O=CC1(c2ccc(Cl)cc2)CCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 6/20 0.41
LIG1 P18858 1/20 0.41
HDAC4 P56524 1/20 0.41
SLC6A4 P31645 8/20 0.40
SLC6A3 Q01959 8/20 0.40
HSD17B10 Q99714 1/20 0.38
DRD2 P14416 1/20 0.37
SLC6A2 P23975 3/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
CHRM2 P08172 1/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
HTR2A P28223 1/20 0.36
OPRK1 P41145 1/20 0.36
HTR2B P41595 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL6498103 0.96 HDAC4 (0.44) HSD11B1HDAC4SLC6A4SLC6A3HSD17B10
SCHEMBL10879701 0.94 SLC6A4 (0.47) HSD11B1HDAC4SLC6A4SLC6A3SLC6A2
SCHEMBL695920 0.91 HSD17B10 (0.41) HSD11B1LIG1HDAC4SLC6A4SLC6A3
SCHEMBL27594932 0.82 DRD2 (0.55) HSD11B1HDAC4SLC6A4SLC6A3HSD17B10
Hydrochloric Acid SCHEMBL28029079 0.81 DRD2 (0.53) HDAC4SLC6A4SLC6A3HSD17B10DRD2
SCHEMBL13540015 0.80 OPRM1 (0.51) HSD11B1SLC6A4KCNH2
SCHEMBL12020399 0.79 LIG1 (0.41) HSD11B1LIG1SLC6A4SLC6A3SLC6A2
SCHEMBL1335825 0.79 ESR2 (0.48) HSD11B1HSD17B10CYP3A4ALOX15
SCHEMBL20582009 0.79 LIG1 (0.41) LIG1
SCHEMBL22361954 0.79 SLC6A4 (0.42) HSD11B1LIG1HDAC4SLC6A4SLC6A3

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
EP-0469887-B1 Acetamide derivatives ZENECA LTD (GB) 1994-12-14 EP claimed
US-20240317686-A1 RORyT MODULATOR, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2024-09-26 US disclosed
EP-4273129-A1 RORgammaT MODULATOR, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Shanghai Pharmaceuticals Holding Co., Ltd. (CN) 2023-11-08 EP disclosed
EP-4273129-A1 RORgammaT MODULATOR, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Shanghai Pharmaceuticals Holding Co., Ltd. (CN) 2023-11-08 EP disclosed
WO-2022143771-A1 RORγT MODULATOR, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海医药集团股份有限公司 2022-07-07 WO disclosed
WO-2022143771-A1 RORγT MODULATOR, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海医药集团股份有限公司 2022-07-07 WO disclosed
CN-114685363-A ROR gamma t regulator, preparation method and application thereof 上海医药集团股份有限公司 2022-07-01 CN disclosed
US-20200345700-A1 LSD1 INHIBITOR AND PREPARATION METHOD AND APPLICATION THEREOF MEDSHINE DISCOVERY INC. (CN) 2020-11-05 US disclosed
US-9238619-B2 Phenalkylamine derivatives, pharmaceutical compositions containing them, and their use in therapy AbbVie Deutschland GmbH & Co. KG (DE) 2016-01-19 US disclosed
EP-2321287-B1 4,5-DIHYDRO-OXAZOL-2-YL DERIVATIVES HOFFMANN LA ROCHE (CH) 2015-11-11 EP disclosed
US-6339106-B1 ADMINISTERING A RACEMIC OR OPTICALLY PURE SIBUTRANINE METABOLITE SUCH AS DESMETHYLSIBUTRAMINE, DIDESMETHYLSIBUTRAMINE OR ITS SALT OR SOLVATE OR CLATHRATE FOR THERAPY OF SEXUAL DYSFUNCTION SEPRACOR, INC. 2002-01-15 US disclosed
US-6331571-B1 ADMINISTERING THERAPEUTICALLY OR PROPHYLACTICALLY EFFECTIVE AMOUNT OF RACEMIC OR OPTICALLY PURE SIBUTRAMINE METABOLITE, OR PHARMACEUTICALLY ACCEPTABLE SALT, SOLVATE, OR CLATHRATE THEREOF SEPRACOR, INC. 2001-12-18 US disclosed
WO-2001051453-A1 RACEMIC AND OPTICALLY PURE METABOLITES OF SIBUTRAMINE, THEIR PREPARATION, COMPOSITIONS COMPRISING THEM AND THEIR USE AS DOPAMINE REUPTAKE INHIBITORS SEPRACOR INC. (US) 2001-07-19 WO disclosed
EP-1107746-A2 METHODS OF USING AND COMPOSITIONS COMPRISING DOPAMINE REUPTAKE INHIBITORS Sepracor Inc. (US) 2001-06-20 EP disclosed
WO-2000010551-A2 METHODS OF USING AND COMPOSITIONS COMPRISING DOPAMINE REUPTAKE INHIBITORS SEPRACOR INC. (US) 2000-03-02 WO disclosed
US-5430060-A Aldose reductase inhibitor ZENECA LIMITED (GB) 1995-07-04 US disclosed
US-5047432-A Antidepressants THE BOOTS COMPANY PLC (GB) 1991-09-10 US disclosed
US-4925879-A ANTIDEPRESSANTS BOOTS COMPANY, PLC (GB) 1990-05-15 US disclosed
EP-0191542-B1 ARYLCYCLOBUTYLALKYL AMINES AND THEIR USE AS ANTIDEPRESSIVE MEDICINES The Boots Company PLC (GB) 1988-06-08 EP disclosed
EP-0191542-A1 Arylcyclobutylalkyl amines and their use as antidepressive medicines The Boots Company PLC (GB) 1986-08-20 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 (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-20240317686-A1 RORyT MODULATOR, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF RORC, RORB, RORA HSD11B1 41/4885LIG1 4833/4885HDAC4 1168/4885
US-20200345700-A1 LSD1 INHIBITOR AND PREPARATION METHOD AND APPLICATION THEREOF KDM1B, KDM1A, KDM2A HSD11B1 340/4885LIG1 779/4885HDAC4 114/4885

“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.