SCHEMBL85386

SCHEMBL85386

O=C(O)C1CN(C(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
KMT2A Q03164 4/20 0.50
CNR1 P21554 1/20 0.50
CNR2 P34972 1/20 0.50
SLC6A9 P48067 1/20 0.49
MAOB P27338 1/20 0.49
CACNA2D1 P54289 3/20 0.48
CACNB1 Q02641 3/20 0.48
CACNA1C Q13936 3/20 0.48
CACNA1A O00555 1/20 0.48
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CACNA1B Q00975 2/20 0.46
MEN1 O00255 1/20 0.46
CACNA1H O95180 1/20 0.46
CACNA1G O43497 1/20 0.46
OPRD1 P41143 1/20 0.45
MGLL Q99685 1/20 0.45

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
SCHEMBL20594076 0.87 KMT2A (0.57) ALDH1A1KMT2ACNR1CNR2SLC6A9
SCHEMBL12499368 0.85 ALDH1A1 (0.51) ALDH1A1KMT2ACNR1CNR2SLC6A9
SCHEMBL3299615 0.84 MAOB (0.53) ALDH1A1KMT2ACNR1CNR2SLC6A9
SCHEMBL3296944 0.84 SLC6A9 (0.53) SLC6A9CACNA2D1CACNB1CACNA1CCACNA1A
Hydrochloric Acid SCHEMBL4509686 0.84 ALDH1A1 (0.50) ALDH1A1KMT2ACNR1CNR2SLC6A9
SCHEMBL27481210 0.83 CNR1 (0.57) ALDH1A1KMT2ACNR1CNR2SLC6A9
Hydrochloric Acid SCHEMBL5394384 0.82 CNR1 (0.56) ALDH1A1KMT2ACNR1CNR2SLC6A9
SCHEMBL18263730 0.81 ALDH1A1 (0.64) ALDH1A1KMT2ACNR1CNR2MAOB
SCHEMBL24873255 0.81 ALDH1A1 (0.48) ALDH1A1KMT2ACNR1CNR2SLC6A9
SCHEMBL72964 0.81 CYP3A4 (0.49) ALDH1A1KMT2ACNR1CNR2SLC6A9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115068346-A Dental photocurable composition having excellent handling properties and storage stability 株式会社松风 2022-09-20 CN disclosed
CN-115068345-A Dental adhesive composition having excellent storage stability 株式会社松风 2022-09-20 CN disclosed
US-20220287918-A1 DENTAL ADHESIVE COMPOSITION EXCELLENT IN STORAGE STABILITY SHOFU INC. (JP) 2022-09-15 US disclosed
EP-4056163-A1 DENTAL ADHESIVE COMPOSITION EXCELLENT IN STORAGE STABILITY Shofu Inc. (JP) 2022-09-14 EP disclosed
US-20220117945-A1 ISOXAZOLE CARBOXAMIDE COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2022-04-21 US disclosed
US-20220117945-A1 ISOXAZOLE CARBOXAMIDE COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2022-04-21 US disclosed
EP-3601276-A1 ISOXAZOLE CARBOXAMIDE COMPOUNDS AND USES THEREOF Novartis AG (CH) 2020-02-05 EP disclosed
EP-3022202-B1 AUTOTAXIN INHIBITORS COMPRISING A HETEROAROMATIC RING-BENZYL-AMIDE-CYCLE CORE NOVARTIS AG (CH) 2019-05-15 EP disclosed
US-10183025-B2 Autotaxin inhibitors NOVARTIS AG (CH) 2019-01-22 US disclosed
WO-2018172997-A1 ISOXAZOLE CARBOXAMIDE COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2018-09-27 WO disclosed
US-4755210-A Composition containing 3-carboxyazetidine, water, surfactant SHELL OIL COMPANY (US) 1988-07-05 US disclosed
US-4665079-A QUINOLINE DERIVATIVES WARNER-LAMBERT COMPANY (US) 1987-05-12 US disclosed
US-4638067-A NAPHTHYRIDINE AND QUINOLINE CARBOXYLIC ACIDS WARNER-LAMBERT CO. (US) 1987-01-20 US disclosed
US-4569688-A N-Formyl-3-carboxyazetidine and its use for sterilizing the male parts of wheat plants SHELL OIL COMPANY (US) 1986-02-11 US disclosed
US-4555260-A 3-CARBOXYAZETIDINE SHELL OIL COMPANY (US) 1985-11-26 US disclosed
EP-0153163-A2 7-Substituted-1-cyclopropyl-6,8-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acids; 7-substituted-1-cyclopropyl-1,4-dihydro-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acids; their derivatives; and a process for preparing the compounds WARNER-LAMBERT COMPANY (US) 1985-08-28 EP disclosed
US-4534787-A SELECTIVE STERILIZING OF MALE PARTS OF WHEAT PLANTS SHELL OIL COMPANY (US) 1985-08-13 US disclosed
EP-0106489-A2 Antibacterial agents WARNER-LAMBERT COMPANY (US) 1984-04-25 EP disclosed
EP-0029265-B1 A METHOD FOR PREPARING AZETIDINE DERIVATIVES, MALE STERILITY IN PLANTS PRODUCING COMPOSITIONS CONTAINING THEM, THEIR USE IN STERILIZING MALE PARTS IN PLANTS, A METHOD OF PRODUCING F1 HYBRID SEED AND CERTAIN NOVEL AZETIDINE DERIVATIVES SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1983-08-17 EP disclosed
EP-0029265-A2 A method for preparing azetidine derivatives, male sterility in plants producing compositions containing them, their use in sterilizing male parts in plants, a method of producing F1 hybrid seed and certain novel azetidine derivatives SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1981-05-27 EP 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 (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-20220287918-A1 DENTAL ADHESIVE COMPOSITION EXCELLENT IN STORAGE STABILITY ITGA1, ITGB1, CDH1 ALDH1A1 20/4885KMT2A 2406/4885CNR1 2177/4885
US-20220117945-A1 ISOXAZOLE CARBOXAMIDE COMPOUNDS AND USES THEREOF SLC26A4, SLC26A3, ALDH5A1 ALDH1A1 196/4885KMT2A 3481/4885CNR1 455/4885
US-10183025-B2 Autotaxin inhibitors ENPP2, SERPINB1, TFPI ALDH1A1 4843/4885KMT2A 3346/4885CNR1 4001/4885

“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.