SCHEMBL26382002

SCHEMBL26382002

CCCCc1cc(C)ncc1CCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 3/20 0.41
▸ SLC6A4 P31645 3/20 0.41
▸ SLC6A3 Q01959 3/20 0.41
▸ GABRP O00591 1/20 0.38
▸ GABRD O14764 1/20 0.38
▸ GABRA1 P14867 1/20 0.38
▸ GABRB1 P18505 1/20 0.38
▸ GABRG2 P18507 1/20 0.38
▸ GABRB3 P28472 1/20 0.38
▸ GABRA5 P31644 1/20 0.38
▸ GABRA3 P34903 1/20 0.38
▸ GABRA2 P47869 1/20 0.38
▸ GABRB2 P47870 1/20 0.38
▸ GABRA4 P48169 1/20 0.38
▸ GABRE P78334 1/20 0.38
▸ GABRA6 Q16445 1/20 0.38
▸ GABRG1 Q8N1C3 1/20 0.38
▸ GABRG3 Q99928 1/20 0.38
▸ GABRQ Q9UN88 1/20 0.38
▸ TYR P14679 1/20 0.35

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
SCHEMBL20038315 0.84 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3NOS2NOS3
SCHEMBL28158261 0.81 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3NOS2NOS3
SCHEMBL20342481 0.81 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3NOS2HPGD
SCHEMBL8170855 0.78 GABRP (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL24250240 0.78 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3NOS2NOS3
SCHEMBL19413769 0.78 UHRF1 (0.45) SLC6A2SLC6A4SLC6A3NOS2NOS3
SCHEMBL11839087 0.77 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3PDE10A
SCHEMBL11853091 0.77 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3GABRPGABRD
SCHEMBL27572760 0.76 TYR (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL29739420 0.75 ALDH1A1 (0.36) SLC6A2SLC6A4SLC6A3GABRPGABRD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230310428-A1 EGFR INHIBITOR AND PREPARATION METHOD AND USE THEREOF Hongyun Biotech Co., Ltd. (CN) 2023-10-05 — — 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 (1 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-20230310428-A1 EGFR INHIBITOR AND PREPARATION METHOD AND USE THEREOF EGFR, ERBB2, ERBB4 SLC6A2 4595/4885SLC6A4 4121/4885SLC6A3 4031/4885

“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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