SCHEMBL2743300

SCHEMBL2743300

CN1CCC2(CCNC2)C1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.56
CYP2D6 P10635 7/20 0.40
CYP3A4 P08684 7/20 0.40
ALDH1A1 P00352 6/20 0.40
CYP1A2 P05177 5/20 0.40
HSD17B10 Q99714 4/20 0.40
USP2 O75604 5/20 0.38
SOS1 Q07889 1/20 0.36
SOS2 Q07890 1/20 0.36
CYP2C9 P11712 1/20 0.35
HPGD P15428 3/20 0.34
TP53 P04637 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL3 Q96JM7 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP11B1 P15538 1/20 0.33
KHK P50053 1/20 0.32

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
SCHEMBL13879323 1.00 TSHR (0.56) TSHRCYP2D6CYP3A4ALDH1A1CYP1A2
SCHEMBL12457837 1.00 TSHR (0.56) TSHRCYP2D6CYP3A4ALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL9688286 0.98 TSHR (0.59) TSHRCYP2D6CYP3A4ALDH1A1CYP1A2
SCHEMBL18632964 0.88 CYP3A4 (0.53) TSHRCYP2D6CYP3A4ALDH1A1CYP1A2
SCHEMBL1753856 0.88 TSHR (0.49) TSHRCYP2D6CYP3A4ALDH1A1CYP1A2
SCHEMBL255503 0.88 CYP3A4 (0.53) TSHRCYP2D6CYP3A4ALDH1A1CYP1A2
SCHEMBL1755476 0.86 TSHR (0.50) TSHRCYP2D6CYP3A4ALDH1A1CYP1A2
SCHEMBL1753673 0.86 CYP2D6 (0.41) TSHRCYP2D6CYP3A4ALDH1A1CYP1A2
SCHEMBL22958242 0.86 TSHR (0.47) TSHRCYP2D6CYP3A4ALDH1A1CYP1A2
SCHEMBL24717721 0.85 TSHR (0.59) TSHRCYP2D6CYP3A4ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250353841-A1 HETEROCYCLIC COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE HUFF SARAH ELIZABETH (US) 2025-11-20 US disclosed
US-20250304577-A1 TYK2 INHIBITORS BIOGEN MA INC. 2025-10-02 US disclosed
WO-2025151478-A1 COMPOUNDS AND COMPOSITION FOR TARGETING TP53-Y220C MUTANTS FLARE THERAPEUTICS INC. (US) 2025-07-17 WO disclosed
US-20240368193-A1 KRAS INHIBITORS ELI LILLY AND COMPANY 2024-11-07 US disclosed
WO-2024151557-A1 MODULATORS OF BCL6 PROTEOLYSIS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. (US) 2024-07-18 WO disclosed
WO-2024123999-A1 TREATMENT OF GRAFT-VERSUS-HOST DISEASE WITH INHIBITORS OF BET FAMILY BDII BROMODOMAIN POSEIDON INNOVATION 1, INC. (US) 2024-06-13 WO disclosed
WO-2024123991-A1 TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS WITH INHIBITORS OF BET FAMILY BDII BROMODOMAIN POSEIDON INNOVATION 1, INC. (US) 2024-06-13 WO disclosed
CN-118125978-A MYC inhibitor and preparation method and application thereof 安徽中医药大学 2024-06-04 CN disclosed
WO-2024073371-A1 AKT1 MODULATORS ALTEROME THERAPEUTICS, INC. (US) 2024-04-04 WO disclosed
WO-2024064026-A1 AKT1 MODULATORS ALTEROME THERAPEUTICS, INC. (US) 2024-03-28 WO disclosed
EP-0523512-B1 8-vinyl- and 8-ethinyl-quinolone carboxylic acids BAYER AG (DE) 1997-01-15 EP disclosed
US-5578604-A BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 1996-11-26 US disclosed
US-5468742-A Antibacterial agents, feed additives BAYER AKTIENGESELLSCHAFT (DE) 1995-11-21 US disclosed
EP-0671391-A1 5-Vinyl- and 5-ethinyl-quinolinone- and -naphthyridone-carboxylic acids BAYER AG (DE) 1995-09-13 EP disclosed
EP-0523512-A1 8-vinyl- and 8-ethinyl-quinolone carboxylic acids BAYER AG (DE) 1993-01-20 EP disclosed
EP-0417631-A2 Condensed diazepinones, process for their preparation, and medicaments containing these compounds Dr. Karl Thomae GmbH (DE) 1991-03-20 EP disclosed
US-4604401-A QUINOLINE-CARBOXYLIC ACIDS WARNER-LAMBERT COMPANY (US) 1986-08-05 US disclosed
EP-0174077-A1 -9-fluoro-6,7-dihydro-5-methyl-1-oxo-8-substituted-1H,5H, benzo(ij)-quinoziline-2-carboxylic acids; their derivatives; and processes for producing the compounds WARNER-LAMBERT COMPANY (US) 1986-03-12 EP disclosed
EP-0169710-A2 7-Substituted-6-fluoro-8-substituted-1,4-dihydro-1-methylamino-4-oxo-3-quinolinecarboxylic acids; 7-substituted-6-fluoro-1,4-dihydro-1-methylamino-4-oxo-3-naphthyridine carboxylic acids; derivatives thereof; and processes for producing the compounds WARNER-LAMBERT COMPANY (US) 1986-01-29 EP disclosed
US-4550103-A Antibacterial 1-oxo-benzoquinolizine-2-carboxylic acids WARNER-LAMBERT COMPANY (US) 1985-10-29 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 (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-20250353841-A1 HETEROCYCLIC COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE HTT, HYPK, ATXN2 TSHR 3800/4885CYP2D6 3287/4885CYP3A4 4723/4885
US-20250304577-A1 TYK2 INHIBITORS TYK2, JAK2, JAK1 TSHR 846/4885CYP2D6 2212/4885CYP3A4 3635/4885
US-20240368193-A1 KRAS INHIBITORS KRAS, NRAS, HRAS TSHR 1059/4885CYP2D6 2142/4885CYP3A4 2330/4885

“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.