SCHEMBL29522211

SCHEMBL29522211

C[C@@H]1CC(C)(C)c2cccc(N)c21

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
CD44 P16070 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
PIK3CA P42336 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
SCHEMBL8626918 1.00 ALDH1A1 (0.41) ALDH1A1MAPTCD44KDM4EMEN1
SCHEMBL30197891 1.00 ALDH1A1 (0.41) ALDH1A1MAPTCD44KDM4EMEN1
SCHEMBL16991796 1.00 ALDH1A1 (0.41) ALDH1A1MAPTCD44KDM4EMEN1
SCHEMBL29522160 1.00 ALDH1A1 (0.41) ALDH1A1MAPTCD44KDM4EMEN1
SCHEMBL2779868 1.00 ALDH1A1 (0.41) ALDH1A1MAPTCD44KDM4EMEN1
Hydrochloric Acid SCHEMBL17216600 0.98 ALDH1A1 (0.40) ALDH1A1MAPTCD44KDM4EMEN1
Bromide SCHEMBL17217542 0.98 ALDH1A1 (0.40) ALDH1A1MAPTCD44KDM4EMEN1
Sulfuric Acid SCHEMBL25199808 0.88 ALDH1A1 (0.43) ALDH1A1MAPT
Cadaverine Tartrate SCHEMBL16774507 0.85 ALDH1A1 (0.39) ALDH1A1MAPTKDM4ELMNA
Cadaverine Tartrate SCHEMBL25220108 0.85 ALDH1A1 (0.39) ALDH1A1MAPTKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4112602-B1 ENANTIOSELECTIVE HYDROGENATION OF 4-SUBSTITUTED 1,2-DIHYDROQUINOLINES IN PRESENCE OF A CHIRAL IRIDIUM CATALYST BAYER AG (DE) 2026-02-18 EP disclosed
US-20260015326-A1 ENANTIOSELECTIVE HYDROGENATION OF 4-SUBSTITUTED 1,2-DIHYDROQUINOLINES IN PRESENCE OF A CHIRAL IRIDIUM CATALYST BAYER AKTIENGESELLSCHAFT (DE) 2026-01-15 US disclosed
US-12410138-B2 Process comprising the use of new iridium catalysts for enantioselective hydrogenation of 4-substituted 1,2-dihydroquinolines BAYER AKTIENGESELLSCHAFT (DE) 2025-09-09 US disclosed
EP-3774735-B1 ENANTIOSELECTIVE HYDROGENATION OF 4-SUBSTITUTED 1,2-DIHYDROQUINOLINES IN PRESENCE OF A CHIRAL IRIDIUM CATALYST BAYER AG (DE) 2023-09-13 EP disclosed
CN-115836041-A Process for producing optically active compound 住友化学株式会社 2023-03-21 CN disclosed
EP-4112602-A1 ENANTIOSELECTIVE HYDROGENATION OF 4-SUBSTITUTED 1,2-DIHYDROQUINOLINES IN PRESENCE OF A CHIRAL IRIDIUM CATALYST Bayer Aktiengesellschaft (DE) 2023-01-04 EP disclosed
US-20220324810-A1 PROCESS COMPRISING THE USE OF NEW IRIDIUM CATALYSTS FOR ENANTIOSELECTIVE HYDROGENATION OF 4-SUBSTITUTED 1,2-DIHYDROQUINOLINES BAYER AKTIENGESELLSCHAFT (DE) 2022-10-13 US disclosed
US-20220306583-A1 IMPROVED ENANTIOSELECTIVE HYDROGENATION OF 4-SUBSTITUTED 1,2-DIHYDROQUINOLINES IN PRESENCE OF A CHIRAL IRIDIUM CATALYST AND AN ADDITIVE BAYER AKTIENGESELLSCHAFT (DE) 2022-09-29 US disclosed
EP-4034527-A1 IMPROVED ENANTIOSELECTIVE HYDROGENATION OF 4-SUBSTITUTED 1,2-DIHYDROQUINOLINES IN PRESENCE OF A CHIRAL IRIDIUM CATALYST AND AN ADDITIVE Bayer Aktiengesellschaft (DE) 2022-08-03 EP disclosed
CN-114514223-A Process comprising enantioselective hydrogenation of 4-substituted 1, 2-dihydroquinolines using a novel iridium catalyst 拜耳公司 2022-05-17 CN disclosed
CN-114423739-A Improved enantioselective hydrogenation of 4-substituted 1, 2-dihydroquinolines in the presence of chiral iridium catalysts and additives 拜耳公司 2022-04-29 CN 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 (4 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-20220324810-A1 PROCESS COMPRISING THE USE OF NEW IRIDIUM CATALYSTS FOR ENANTIOSELECTIVE HYDROGENATION OF 4-SUBSTITUTED 1,2-DIHYDROQUINOLINES IDH3B, HVCN1, HDHD5 ALDH1A1 368/4885MAPT 4179/4885CD44 3318/4885
US-20260015326-A1 ENANTIOSELECTIVE HYDROGENATION OF 4-SUBSTITUTED 1,2-DIHYDROQUINOLINES IN PRESENCE OF A CHIRAL IRIDIUM CATALYST H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, H1-4, H1-0 ALDH1A1 632/4885MAPT 4821/4885CD44 4555/4885
US-20220306583-A1 IMPROVED ENANTIOSELECTIVE HYDROGENATION OF 4-SUBSTITUTED 1,2-DIHYDROQUINOLINES IN PRESENCE OF A CHIRAL IRIDIUM CATALYST AND AN ADDITIVE HRH4, H1-4, IDH3B ALDH1A1 422/4885MAPT 3708/4885CD44 4007/4885
US-12410138-B2 Process comprising the use of new iridium catalysts for enantioselective hydrogenation of 4-substituted 1,2-dihydroquinolines HVCN1, HDHD5, HRH4 ALDH1A1 469/4885MAPT 3904/4885CD44 2878/4885

“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.