SCHEMBL4763283

SCHEMBL4763283

CC(=O)OC1CCOC(c2ccc(Br)cc2)C1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 5/20 0.36
▸ SLC6A3 Q01959 5/20 0.36
▸ SLC6A2 P23975 4/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ KDM1A O60341 1/20 0.34
▸ MAOA P21397 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ PTPRF P10586 1/20 0.33
▸ PTPN2 P17706 1/20 0.33
▸ PTPN1 P18031 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ TERT O14746 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
SCHEMBL4763280 1.00 SLC6A4 (0.36) SLC6A4SLC6A3SLC6A2CYP1A2CYP2D6
SCHEMBL6292687 1.00 SLC6A4 (0.36) SLC6A4SLC6A3SLC6A2CYP1A2CYP2D6
SCHEMBL14721136 0.81 SLC6A4 (0.37) SLC6A4SLC6A3SLC6A2KDM1AMAOA
SCHEMBL17158504 0.78 SLC6A4 (0.33) SLC6A4SLC6A3SLC6A2KDM1AMAOA
SCHEMBL4766683 0.77 RAB9A (0.32) —
SCHEMBL4766686 0.77 RAB9A (0.32) —
SCHEMBL4772994 0.77 RAB9A (0.32) —
SCHEMBL3497518 0.77 FFAR4 (0.40) SLC6A4SLC6A3SLC6A2CYP1A2CYP2D6
SCHEMBL3497521 0.77 FFAR4 (0.40) SLC6A4SLC6A3SLC6A2CYP1A2CYP2D6
SCHEMBL12477256 0.74 AKR1C3 (0.39) SLC6A4SLC6A3SLC6A2KDM1AMAOA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1020445-B1 FUSED PYRIDINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2008-08-13 — — EP disclosed
US-6875761-B2 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. (JP) 2005-04-05 — — US disclosed
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. 2004-10-14 — — US disclosed
US-6790844-B2 MUSCLE RELAXANTS; ANTISEROTONINE AGENT EISAI CO., LTD (JP) 2004-09-14 — — US disclosed
US-20020013460-A1 Condensed pyridine compound EISAI CO., LTD 2002-01-31 — — US disclosed
US-6340759-B1 ANTISPASMODIC AGENTS EISAI CO., LTD. (JP) 2002-01-22 — — US disclosed
EP-1020445-A1 FUSED PYRIDINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-07-19 — — 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-20020013460-A1 Condensed pyridine compound MUSK, HTR1A, PAX3 SLC6A4 61/4885SLC6A3 931/4885SLC6A2 426/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 SLC6A4 47/4885SLC6A3 238/4885SLC6A2 269/4885

“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.

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