SCHEMBL40034

SCHEMBL40034

COC(=O)[C@@H]1CCCCN1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 2/20 0.46
TSHR P16473 2/20 0.46
CYP2C9 P11712 1/20 0.46
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
PRCP P42785 1/20 0.40
SLC6A3 Q01959 4/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 1/20 0.40
DHFR P00374 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRNA4 P43681 1/20 0.38

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
SCHEMBL40033 1.00 CYP3A4 (0.46) CYP3A4CYP2D6TSHRCYP2C9CYP1A2
SCHEMBL134643 1.00 CYP3A4 (0.46) CYP3A4CYP2D6TSHRCYP2C9CYP1A2
SCHEMBL15384851 0.98 CYP3A4 (0.45) CYP3A4CYP2D6TSHRCYP2C9CYP1A2
Hydrochloric Acid SCHEMBL132158 0.98 TSHR (0.45) CYP3A4CYP2D6TSHRCYP2C9CYP1A2
SCHEMBL17919051 0.98 CYP3A4 (0.45) CYP3A4CYP2D6TSHRCYP2C9CYP1A2
SCHEMBL1688457 0.98 CYP3A4 (0.45) CYP3A4CYP2D6TSHRCYP2C9CYP1A2
Hydrochloric Acid SCHEMBL134642 0.98 TSHR (0.45) CYP3A4CYP2D6TSHRCYP2C9CYP1A2
Hydrochloric Acid SCHEMBL1899822 0.98 TSHR (0.45) CYP3A4CYP2D6TSHRCYP2C9CYP1A2
SCHEMBL16946146 0.98 CYP3A4 (0.45) CYP3A4CYP2D6TSHRCYP2C9CYP1A2
Hydrochloric Acid SCHEMBL15206077 0.96 TSHR (0.44) CYP3A4CYP2D6TSHRCYP2C9CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113024367-A Method for preparing alpha-hexyl cinnamaldehyde 万华化学集团股份有限公司 2021-06-25 CN claimed
US-12624003-B2 Carboxylic acid containing indanyl compounds for the treatment of neurodegenerative diseases CELGENE CORPORATION (US) 2026-05-12 US disclosed
EP-4267117-B1 CARBOXYLIC ACID CONTAINING INDANYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES CELGENE CORP (US) 2026-04-08 EP disclosed
US-20250288559-A1 PREP BINDING LIGANDS POLKU THERAPEUTICS OY (FI) 2025-09-18 US disclosed
WO-2025132542-A1 MACROCYCLIC OREXIN AGONISTS IDORSIA PHARMACEUTICALS LTD (CH) 2025-06-26 WO disclosed
WO-2025076429-A1 TARGETED RELOCALIZATION COMPOUNDS AND METHODS OF USE THEREOF THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2025-04-10 WO disclosed
US-20250084044-A1 PROTOPORPHYRINOGEN OXIDASE INHIBITORS ENKO CHEM, INC. (US) 2025-03-13 US disclosed
CN-119451944-A PREP binding ligands 珀尔库治疗有限公司 2025-02-14 CN disclosed
EP-4462999-A1 PROTOPORPHYRINOGEN OXIDASE INHIBITORS Enko Chem, Inc. (US) 2024-11-20 EP disclosed
WO-2024183756-A1 BENZENE RING-CONTAINING COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海再极医药科技有限公司 2024-09-12 WO disclosed
WO-2001040185-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR STIMULATING NEURONAL GROWTH AND ELONGATION AGOURON PHARMACEUTICALS, INC. (US) 2001-06-07 WO disclosed
EP-1091930-A1 C-TERMINAL MODIFIED OXAMYL DIPEPTIDES AS INHIBITORS OF THE ICE/ced-3 FAMILY OF CYSTEINE PROTEASES Idun Pharmaceuticals, Inc. (US) 2001-04-18 EP disclosed
US-6197750-B1 ENZYME INHIBITORS; ANTIINFLAMMATORY AGENTS IDUN PHARMACEUTICALS, INC. 2001-03-06 US disclosed
US-6150527-A Synthetic multimerizing agents ARIAD PHARMACEUTICALS, INC. (US) 2000-11-21 US disclosed
US-6133456-A DIMERS OF THE MACROCYCLIC NATURAL PRODUCT, FK506, COVALENTLY ATTACHED TO EACH OTHER VIA A SYNTHETIC LINKER MOIETY ARIAD GENE THERAPEUTICS, INC. (US) 2000-10-17 US disclosed
WO-2000001666-A1 C-TERMINAL MODIFIED OXAMYL DIPEPTIDES AS INHIBITORS OF THE ICE/ced-3 FAMILY OF CYSTEINE PROTEASES IDUN PHARMACEUTICALS, INC. (US) 2000-01-13 WO disclosed
EP-0888303-A1 SYNTHETIC DERIVATIVES OF RAPAMYCIN AS MULTIMERIZING AGENTS FOR CHIMERIC PROTEINS WITH IMMUNOPHILIN-DERIVED DOMAINS ARIAD GENE THERAPEUTICS, INC. (US) 1999-01-07 EP disclosed
EP-0843658-A1 DIDEPSIPEPTIDE-BASED ENDOPARASITICIDES, NEW DIDEPSIPEPTIDES AND PROCESS FOR PREPARING THE SAME BAYER AG (DE) 1998-05-27 EP disclosed
WO-1997031898-A1 SYNTHETIC DERIVATIVES OF RAPAMYCIN AS MULTIMERIZING AGENTS FOR CHIMERIC PROTEINS WITH IMMUNOPHILIN-DERIVED DOMAINS ARIAD GENE THERAPEUTICS, INC. (US) 1997-09-04 WO disclosed
WO-1997007093-A1 DIDEPSIPEPTIDE-BASED ENDOPARASITICIDES, NEW DIDEPSIPEPTIDES AND PROCESS FOR PREPARING THE SAME BAYER AKTIENGESELLSCHAFT (DE) 1997-02-27 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 (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-20250084044-A1 PROTOPORPHYRINOGEN OXIDASE INHIBITORS PPOX, CYP4X1, PNPO CYP3A4 111/4885CYP2D6 100/4885TSHR 2022/4885
US-20250288559-A1 PREP BINDING LIGANDS PREP, ERAP2, CTSA CYP3A4 4401/4885CYP2D6 4601/4885TSHR 3591/4885
US-12624003-B2 Carboxylic acid containing indanyl compounds for the treatment of neurodegenerative diseases S1PR5, LPAR5, S1PR2 CYP3A4 3400/4885CYP2D6 1724/4885TSHR 1869/4885

“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.