SCHEMBL2478962

SCHEMBL2478962

CCOC(OCC)c1sccc1Br

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ADRA1D P25100 2/20 0.38
▸ NPC1 O15118 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ IDO1 P14902 1/20 0.31
▸ TDO2 P48775 1/20 0.31
▸ BCHE P06276 1/20 0.30
▸ ACHE P22303 1/20 0.30
▸ PTGS2 P35354 1/20 0.30

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
SCHEMBL1474968 0.78 ADRA1D (0.45) ADRA1DPOLB
SCHEMBL4525790 0.77 KEAP1 (0.44) MAPTBCHEACHEPTGS2
SCHEMBL26629189 0.72 ADRA1D (0.41) ADRA1D
SCHEMBL28811183 0.69 — —
Hydrochloric Acid SCHEMBL10758955 0.68 NPC1 (0.37) ADRA1DNPC1POLBMAPTPKM
SCHEMBL26629137 0.68 ADRA1D (0.38) ADRA1D
SCHEMBL26629359 0.68 ADRA1D (0.38) ADRA1D
SCHEMBL18003233 0.67 — —
SCHEMBL19277669 0.67 ADRA1D (0.36) ADRA1DNPC1POLBMAPTPKM
SCHEMBL26629385 0.66 ADRA1D (0.36) ADRA1DNPC1POLBMAPTPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2159216-B1 3-BUTENYL-1-AMINE DERIVATIVES AND THEIR USE AS Ih MODULORS FOR THE TREATMENT OF PSYCHIATIRC DISORDERS ORGANON NV (NL) 2011-10-12 — — EP disclosed
EP-2159216-A1 Ih - Modulators N.V. Organon (NL) 2010-03-03 — — EP disclosed
US-20040229910-A1 Therapeutic compounds N.V. ORGANON (NL) 2004-11-18 — — US disclosed
US-20020037885-A1 Therapeutic compounds DIJCKS FREDERICUS ANTONIUS (NL) 2002-03-28 — — US disclosed
US-6313139-B1 ADMINISTERING BENZYLAMINE DERIVATIVE FOR THERAPY OF PSYCHIATRIC DISORDER IN MAMMALS AKZO NOBEL N. V. (NL) 2001-11-06 — — US disclosed
CN-1275909-A In-modulators AKZO NOBEL NV (NL) 2000-12-06 — — CN disclosed
EP-1035843-A2 I h?-MODULATORS Akzo Nobel N.V. (NL) 2000-09-20 — — EP disclosed
US-6080773-A USEFUL FOR TREATMENT OF DEPRESSION, ANXIETY OR PSYCHOSIS AKZO NOBEL, N.V. (NL) 2000-06-27 — — US disclosed
WO-1999018941-A2 Ih-MODULATORS AKZO NOBEL N.V. (NL) 1999-04-22 — — 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 (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-20040229910-A1 Therapeutic compounds BDNF, PNMT, SLC18A2 ADRA1D 158/4885NPC1 536/4885POLB 3295/4885
US-20020037885-A1 Therapeutic compounds BDNF, PNMT, SLC18A2 ADRA1D 158/4885NPC1 536/4885POLB 3295/4885

“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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