SCHEMBL1323507

SCHEMBL1323507

CCc1ccc2c(c1)C(C)=CC(C)(C)N2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 1.00
▸ KDM4E B2RXH2 6/20 1.00
▸ HPGD P15428 6/20 1.00
▸ GAA P10253 1/20 1.00
▸ MAPT P10636 4/20 0.79
▸ TDP1 Q9NUW8 3/20 0.79
▸ MEN1 O00255 3/20 0.79
▸ KMT2A Q03164 3/20 0.79
▸ L3MBTL1 Q9Y468 2/20 0.79
▸ MAPK1 P28482 1/20 0.79
▸ HSD17B10 Q99714 5/20 0.65
▸ CYP3A4 P08684 3/20 0.62
▸ CYP1A2 P05177 2/20 0.62
▸ CYP2D6 P10635 2/20 0.62
▸ CYP2C9 P11712 2/20 0.62
▸ CYP2C19 P33261 2/20 0.62
▸ LMNA P02545 3/20 0.61
▸ ALOX15 P16050 1/20 0.61
▸ ALOX12 P18054 1/20 0.61
▸ HIF1A Q16665 1/20 0.61

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
SCHEMBL9450756 0.88 KDM4E (1.00) ALDH1A1KDM4EHPGDGAAMAPT
Hydrochloric Acid SCHEMBL11728404 0.87 KDM4E (0.97) ALDH1A1KDM4EHPGDGAAMAPT
SCHEMBL13431352 0.87 ALDH1A1 (0.77) ALDH1A1KDM4EHPGDGAAMAPT
SCHEMBL7071108 0.84 ALDH1A1 (0.73) ALDH1A1KDM4EHPGDGAAMAPT
SCHEMBL97245 0.82 ALDH1A1 (0.69) ALDH1A1KDM4EHPGDGAAMAPT
SCHEMBL7071614 0.82 ALDH1A1 (0.69) ALDH1A1KDM4EHPGDGAAMAPT
SCHEMBL7073745 0.82 ALDH1A1 (0.69) ALDH1A1KDM4EHPGDGAAMAPT
SCHEMBL7069498 0.82 ALDH1A1 (0.69) ALDH1A1KDM4EHPGDGAAMAPT
SCHEMBL7071018 0.81 KDM4E (0.85) ALDH1A1KDM4EHPGDGAAMAPT
SCHEMBL11349500 0.80 KDM4E (0.68) ALDH1A1KDM4EHPGDGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8258293-B2 Tetrahydroquinoline derivatives MSD OSS B.V. (NL) 2012-09-04 — — US disclosed
US-20120202996-A1 TETRAHYDROQUINOLINE DERIVATIVES N.V. ORGANON (NL) 2012-08-09 — — US disclosed
US-8058441-B2 For control fertility, contraception, breast cancer, prostate cancer and endometriosis; modulating activity of the follicle stimulating hormone (FSH) receptor; 1-Acetyl-6-(tert-butoxycarbonyl)amino-4-phenyl-1,2,3,4-tetrahydro-2,2,4-trimethylquinoline N.V. ORGANON (NL) 2011-11-15 — — US disclosed
US-20110105477-A1 COMPOSITIONS AND METHODS RELATING TO HIV PROTEASE INHIBITION THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-05-05 — — US disclosed
CN-1261099-C Tetrahydroquinoline derivatives AKZO NOBEL NV (NL) 2006-06-28 — — CN disclosed
EP-1406628-B1 TETRAHYDROQUINOLINE DERIVATIVES AKZO NOBEL NV (NL) 2006-03-08 — — EP disclosed
US-20040236109-A1 Tetrahydroquinoline derivatives MERCK SHARP & DOHME B.V. (NL) 2004-11-25 — — US disclosed
CN-1529601-A Tetrahydroquinoline derivatives ��˹��ŵ�� 2004-09-15 — — CN disclosed
EP-1406628-A1 TETRAHYDROQUINOLINE DERIVATIVES Akzo Nobel N.V. (NL) 2004-04-14 — — EP disclosed
US-20030176314-A1 Compounds for the treatment of pain H. LUNDBECK A/S (DK) 2003-09-18 — — US disclosed
US-20030139431-A1 Guanidines which are agonist/antagonist ligands for neuropeptide FF (NPFF) receptors H. LUNDBECK A/S (DK) 2003-07-24 — — US disclosed
WO-2003004028-A1 TETRAHYDROQUINOLINE DERIVATIVES AKZO NOBEL N.V. (NL) 2003-01-16 — — 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 (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-20110105477-A1 COMPOSITIONS AND METHODS RELATING TO HIV PROTEASE INHIBITION PREP, HPN, PEPD ALDH1A1 3853/4885KDM4E 1806/4885HPGD 1075/4885
US-20120202996-A1 TETRAHYDROQUINOLINE DERIVATIVES H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, ODC1, COX6C ALDH1A1 2090/4885KDM4E 903/4885HPGD 4121/4885
US-20030176314-A1 Compounds for the treatment of pain NPFFR2, NPFFR1, OPRL1 ALDH1A1 390/4885KDM4E 4560/4885HPGD 537/4885
US-20040236109-A1 Tetrahydroquinoline derivatives H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, AOC2, HTR3C ALDH1A1 1145/4885KDM4E 845/4885HPGD 3388/4885
US-20030139431-A1 Guanidines which are agonist/antagonist ligands for neuropeptide FF (NPFF) receptors NPFFR1, NPFFR2, SSTR3 ALDH1A1 3738/4885KDM4E 3447/4885HPGD 3840/4885

“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.

Send feedback