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Sugi Predict / Compounds / SCHEMBL2018673

SCHEMBL2018673

SCHEMBL2018673

COc1cc2c3c(c4c(c2cc1N1CCN(c2ccccc2)CC1)-c1ccccc1C4(C)C)C=CC(c1ccccc1)(c1ccc(N2CCN(c4ccccc4)CC2)cc1)O3

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 1/20 0.32
▸ DRD4 P21917 1/20 0.32
▸ HRH2 P25021 1/20 0.32
▸ HRH1 P35367 1/20 0.32
▸ DRD3 P35462 1/20 0.32
▸ ACHE P22303 1/20 0.31
▸ BACE1 P56817 1/20 0.31
▸ TSHR P16473 2/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ ADRA2B P18089 1/20 0.31
▸ ADRA1A P35348 1/20 0.31
▸ MAPT P10636 3/20 0.31
▸ LMNA P02545 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ NPY1R P25929 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ KMT2A Q03164 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
SCHEMBL2023151 0.98 DRD2 (0.31) DRD2DRD4HRH2HRH1DRD3
SCHEMBL2200403 0.96 GAA (0.32) MAPTLMNAHTTSMN1; SMN2
SCHEMBL25605060 0.95 PIK3CA (0.35) DRD2DRD4HRH2HRH1DRD3
SCHEMBL11995963 0.95 PIK3CA (0.35) DRD2DRD4HRH2HRH1DRD3
SCHEMBL2200006 0.95 ACHE (0.35) DRD2HRH1ACHEBACE1TSHR
SCHEMBL23800786 0.94 TNK2 (0.31) ACHETSHRCYP1A2CYP3A4MAPT
SCHEMBL29565404 0.94 TNK2 (0.31) ACHETSHRCYP1A2CYP3A4MAPT
SCHEMBL25844425 0.94 STK10 (0.35) DRD2DRD4HRH2HRH1DRD3
SCHEMBL2237768 0.92 L3MBTL1 (0.40) TSHRMAPTLMNAHTTSMN1; SMN2
SCHEMBL25605051 0.92 DRD2 (0.34) DRD2DRD4HRH2HRH1DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2333028-B1 Photochromic compounds TRANSITIONS OPTICAL INC (US) 2017-11-08 — — EP claimed
EP-2333028-A1 Photochromic compounds TRANSITIONS OPTICAL, INC. (US) 2011-06-15 — — EP claimed
EP-1639058-A1 PHOTOCHROMIC COMPOUNDS TRANSITIONS OPTICAL, INC. (US) 2006-03-29 — — EP claimed
WO-2005005570-A1 PHOTOCHROMIC COMPOUNDS TRANSITIONS OPTICAL, INC. (US) 2005-01-20 — — WO claimed
US-20050004361-A1 Thermally reversible; absorption ratio greater than 2.3 TRANSITIONS OPTICAL LIMITED (IE) 2005-01-06 — — US claimed
EP-2357217-B9 PHOTOCHROMIC COMPOUNDS TRANSITIONS OPTICAL INC (US) 2019-03-13 — — EP disclosed
EP-2357217-B1 PHOTOCHROMIC COMPOUNDS TRANSITIONS OPTICAL INC (US) 2018-10-31 — — EP disclosed
EP-2360224-B1 Photochromic compounds TRANSITIONS OPTICAL INC (US) 2018-10-17 — — EP disclosed
EP-2333028-B1 Photochromic compounds TRANSITIONS OPTICAL INC (US) 2017-11-08 — — EP disclosed
EP-2360224-A1 Photochromic compounds TRANSITIONS OPTICAL, INC. (US) 2011-08-24 — — EP disclosed
EP-2357217-A1 Photochromic compounds TRANSITIONS OPTICAL, INC. (US) 2011-08-17 — — EP disclosed
EP-2333028-A1 Photochromic compounds TRANSITIONS OPTICAL, INC. (US) 2011-06-15 — — EP disclosed
US-20080096048-A1 Thermally reversible; absorption ratio greater than 2.3 TRANSITIONS OPTICAL, INC. (US) 2008-04-24 — — US disclosed
US-20080096049-A1 capable of switching between the two states in response to at least actinic radiation; thermally reversible TRANSITIONS OPTICAL, INC. (US) 2008-04-24 — — US disclosed
US-7342112-B2 Photochromic compounds PPG INDUSTRIES OHIO, INC. (US) 2008-03-11 — — US disclosed
US-20080051575-A1 capable of switching between the two states in response to at least actinic radiation; thermally reversible TRANSITIONS OPTICAL ,INC. (US) 2008-02-28 — — US disclosed
US-20080045704-A1 Thermally reversible; absorption ratio greater than 2.3; cell method TRANSITIONS OPTICAL, INC. (US) 2008-02-21 — — US disclosed
EP-1639058-A1 PHOTOCHROMIC COMPOUNDS TRANSITIONS OPTICAL, INC. (US) 2006-03-29 — — EP disclosed
WO-2005005570-A1 PHOTOCHROMIC COMPOUNDS TRANSITIONS OPTICAL, INC. (US) 2005-01-20 — — WO disclosed
US-20050004361-A1 Thermally reversible; absorption ratio greater than 2.3 TRANSITIONS OPTICAL LIMITED (IE) 2005-01-06 — — 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 (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-20080045704-A1 Thermally reversible; absorption ratio greater than 2.3; cell method CCND3, CCND1, CCND2 DRD2 1141/4885DRD4 816/4885HRH2 2106/4885
US-20080096048-A1 Thermally reversible; absorption ratio greater than 2.3 CCND1, CCND3, CCND2 DRD2 1350/4885DRD4 826/4885HRH2 2110/4885
US-20080051575-A1 capable of switching between the two states in response to at least actinic radiation; thermally reversible CCND1, CCND2, CCNE1 DRD2 1452/4885DRD4 1242/4885HRH2 3198/4885
US-20050004361-A1 Thermally reversible; absorption ratio greater than 2.3 CCND1, CCND3, CCND2 DRD2 1350/4885DRD4 826/4885HRH2 2110/4885
US-20080096049-A1 capable of switching between the two states in response to at least actinic radiation; thermally reversible CCND1, CCND2, CCNE1 DRD2 1452/4885DRD4 1242/4885HRH2 3198/4885

“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.