SCHEMBL335622

SCHEMBL335622

COc1cccc([C@@H](C)N)c1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.56
AOC3 Q16853 3/20 0.53
ALDH1A1 P00352 1/20 0.52
CYP3A4 P08684 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
CASR P41180 3/20 0.50
ACHE P22303 1/20 0.48
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47

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
SCHEMBL30617765 1.00 TAAR1 (0.56) TAAR1AOC3ALDH1A1CYP3A4L3MBTL1
SCHEMBL135107 1.00 TAAR1 (0.56) TAAR1AOC3ALDH1A1CYP3A4L3MBTL1
SCHEMBL29676707 1.00 TAAR1 (0.56) TAAR1AOC3ALDH1A1CYP3A4L3MBTL1
SCHEMBL335349 1.00 TAAR1 (0.56) TAAR1AOC3ALDH1A1CYP3A4L3MBTL1
SCHEMBL29350839 1.00 TAAR1 (0.56) TAAR1AOC3ALDH1A1CYP3A4L3MBTL1
Hydrochloric Acid SCHEMBL16345210 0.98 TAAR1 (0.55) TAAR1AOC3ALDH1A1CYP3A4L3MBTL1
Hydrochloric Acid SCHEMBL12495550 0.98 TAAR1 (0.55) TAAR1AOC3ALDH1A1CYP3A4L3MBTL1
SCHEMBL10781087 0.85 AOC3 (0.54) TAAR1AOC3ALDH1A1CYP3A4L3MBTL1
SCHEMBL10781776 0.85 AOC3 (0.54) TAAR1AOC3ALDH1A1CYP3A4L3MBTL1
SCHEMBL8204131 0.84 TAAR1 (0.53) TAAR1AOC3ALDH1A1CYP3A4L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250078176-A1 ENVIRONMENTAL ATTRIBUTES FOR NITROGEN CONTAINING CHEMICALS BASF SE (DE) 2025-03-06 US claimed
CN-118435582-A Environmental attributes of nitrogen-containing chemicals 巴斯夫欧洲公司 2024-08-02 CN claimed
CN-114804989-B Purification method and racemization recycling of rivastigmine key chiral intermediate 华中科技大学 2023-12-26 CN claimed
WO-2023117926-A1 ENVIRONMENTAL ATTRIBUTES FOR NITROGEN CONTAINING CHEMICALS BASF SE (DE) 2023-06-29 WO claimed
CN-114804989-A Purification method and racemization recycling of rivastigmine key chiral intermediate 华中科技大学 2022-07-29 CN claimed
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP claimed
US-9833768-B2 Affinity reagents for protein purification IMPOSSIBLE FOODS INC. (US) 2017-12-05 US claimed
US-20170320041-A1 AFFINITY REAGENTS FOR PROTEIN PURIFICATION IMPOSSIBLE FOODS INC. 2017-11-09 US claimed
US-9737875-B2 Affinity reagents for protein purification IMPOSSIBLE FOODS INC. (US) 2017-08-22 US claimed
US-8084630-B2 Process for the synthesis of ramelteon and its intermediates TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2011-12-27 US claimed
US-20090069581-A1 PROCESS FOR THE SYNTHESIS OF RAMELTEON AND ITS INTERMEDIATES TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-03-12 US claimed
EP-1773768-A4 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2008-08-06 EP claimed
US-20080125432-A1 5-Carboxamido Substituted Thiazole Derivatives that Interact With Ion Channels, In Particular With Ion Channels From the Kv Family DEVGEN NV (BE) 2008-05-29 US claimed
EP-1819330-A1 5-CARBOXAMIDO SUBSTITUED THIAZOLE DERIVATIVES THAT INTERACT WITH ION CHANNELS, IN PARTICULAR WITH ION CHANNELS FROM THE KV FAMILY Devgen N.V. (BE) 2007-08-22 EP claimed
EP-1773768-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2007-04-18 EP claimed
WO-2006058905-A1 5-CARBOXAMIDO SUBSTITUTED THIAZOLE DERIVATIVES THAT INTERACT WITH ION CHANNELS, IN PARTICULAR WITH ION CHANNELS FROM THE Kv FAMILY DEVGEN NV (BE) 2006-06-08 WO claimed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 WO claimed
US-5648540-A Amine preparation NPS PHARMACEUTICALS, INC. (US) 1997-07-15 US claimed
US-5504253-A Amine preparation NPS PHARMACEUTICALS, INC. (US) 1996-04-02 US claimed
WO-1996002492-A1 METHOD OF MAKING A BENZYLPROPANAMINE NSP PHARMACEUTICALS, INC. (US) 1996-02-01 WO claimed

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-20170320041-A1 AFFINITY REAGENTS FOR PROTEIN PURIFICATION RAB5IF, MRPL21, RPS27A TAAR1 4419/4885AOC3 4516/4885ALDH1A1 4248/4885
US-20090069581-A1 PROCESS FOR THE SYNTHESIS OF RAMELTEON AND ITS INTERMEDIATES CYP2B6, UGT1A6, CYP2A6 TAAR1 2307/4885AOC3 2448/4885ALDH1A1 1428/4885
US-20080125432-A1 5-Carboxamido Substituted Thiazole Derivatives that Interact With Ion Channels, In Particular With Ion Channels From the Kv Family KCNA5, KCNA1, KCNJ2 TAAR1 543/4885AOC3 2874/4885ALDH1A1 1395/4885

“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.