SCHEMBL895036

SCHEMBL895036

NCCCc1ccc(Cl)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 7/20 0.52
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
MAPK1 P28482 1/20 0.50
CYP2D6 P10635 1/20 0.46
GFER P55789 1/20 0.46
HTT P42858 2/20 0.44
ACLY P53396 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
CHEK1 O14757 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42

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
Hydrochloric Acid SCHEMBL14829950 0.98 IDO1 (0.53) IDO1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL25143270 0.94 CYP1A2 (0.51) IDO1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL29787088 0.87 IDO1 (0.56) IDO1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL473578 0.87 IDO1 (0.56) IDO1CYP1A2CYP3A4CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL28650595 0.85 IDO1 (0.57) IDO1CYP1A2CYP3A4CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL3591333 0.85 IDO1 (0.57) IDO1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL5099392 0.83 SIGMAR1 (0.47) IDO1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL11621292 0.82 IDO1 (0.65) IDO1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL6194409 0.82 CHEK1 (0.41) IDO1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7988972 0.81 IDO1 (0.54) IDO1CYP1A2CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117442609-A Application of tetrahydrocarbazole derivative in preventing and treating cow mastitis pathogenic bacteria 兰州大学 2024-01-26 CN claimed
CN-117281120-A Application of tetrahydrocarbazole derivative in preventing and controlling agricultural bacterial diseases 兰州大学 2023-12-26 CN claimed
US-9409917-B2 Heterocyclic amide derivatives as P2X7 receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2016-08-09 US claimed
EP-2804865-B1 HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2015-12-23 EP claimed
US-20150025075-A1 HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2015-01-22 US claimed
EP-2804865-A1 HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2014-11-26 EP claimed
WO-2013108227-A1 HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2013-07-25 WO claimed
US-7470701-B2 Substituted 2,5-heterocyclic derivatives NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-12-30 US claimed
US-20080255120-A1 SUBSTITUTED 2,5-HETEROCYCLIC DERIVATIVES NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-10-16 US claimed
EP-1732919-A1 SUBSTITUTED THIOPHENE DERIVATIVES AS ANTI-CANCER AGENTS CHIRON CORPORATION (US) 2006-12-20 EP claimed
US-20050256121-A1 e.g. 3-(4-fluorophenyl)-N-{5-[2-(methylamino)pyrimidin-4-yl]thien-2-yl}propanamide; PKB/Akt kinase inhibitor; anticarcinogenic agent; carcinoma, cancer metastases, squamous cell carcinoma, esophageal squamous cell carcinoma, oral carcinoma, cutaneous T cell lymphoma, Hodgkin's lymphoma CHIRON CORPORATION (US) 2005-11-17 US claimed
WO-2005095386-A1 SUBSTITUTED THIOPHENE DERIVATIVES AS ANTI-CANCER AGENTS CHIRON CORPORATION (US) 2005-10-13 WO claimed
US-20240182420-A1 MICROBIOCIDAL ISONICOTINIC AMIDE DERIVATIVES SYNGENTA CROP PROTECTION AG (CH) 2024-06-06 US disclosed
CN-117442609-A Application of tetrahydrocarbazole derivative in preventing and treating cow mastitis pathogenic bacteria 兰州大学 2024-01-26 CN disclosed
CN-117281120-A Application of tetrahydrocarbazole derivative in preventing and controlling agricultural bacterial diseases 兰州大学 2023-12-26 CN disclosed
US-20190119200-A1 TERTIARY AMIDES AND METHOD OF USE ABBVIE PHARMACEUTICAL TRADING (SHANGHAI) CO., LTD. (CN) 2019-04-25 US disclosed
EP-0525360-B1 Novel phenylacetamide derivatives and processes for the preparation thereof KOREA RES INST CHEM TECH (KR) 1998-03-25 EP disclosed
WO-1997008193-A1 ACYLATED OLIGOPEPTIDE DERIVATIVES HAVING CELL SIGNAL INHIBITING ACTIVITY NOVARTIS AG (CH) 1997-03-06 WO disclosed
US-5242944-A Analgesics or antiinflammatory agents KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1993-09-07 US disclosed
EP-0525360-A2 Novel phenylacetamide derivatives and processes for the preparation thereof KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1993-02-03 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 (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-20150025075-A1 HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS P2RX7, P2RX1, P2RX3 IDO1 1408/4885CYP1A2 556/4885CYP3A4 748/4885
US-20050256121-A1 e.g. 3-(4-fluorophenyl)-N-{5-[2-(methylamino)pyrimidin-4-yl]thien-2-yl}propanamide; PKB/Akt kinase inhibitor; anticarcinogenic agent; carcinoma, cancer metastases, squamous cell carcinoma, esophageal squamous cell carcinoma, oral carcinoma, cutaneous T cell lymphoma, Hodgkin's lymphoma MALT1, AKT1, PIK3CA IDO1 3135/4885CYP1A2 2356/4885CYP3A4 1562/4885
US-20080255120-A1 SUBSTITUTED 2,5-HETEROCYCLIC DERIVATIVES CYP3A5, ABCG2, ABCB1 IDO1 1747/4885CYP1A2 35/4885CYP3A4 14/4885
US-20190119200-A1 TERTIARY AMIDES AND METHOD OF USE LPAR1, LPAR3, LPAR2 IDO1 2661/4885CYP1A2 1008/4885CYP3A4 3429/4885
US-20240182420-A1 MICROBIOCIDAL ISONICOTINIC AMIDE DERIVATIVES ARG2, MPO, ARG1 IDO1 7/4885CYP1A2 156/4885CYP3A4 356/4885

“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.