Sugi Predict

Sugi Predict / Compounds / SCHEMBL446482

SCHEMBL446482

SCHEMBL446482

O=C[C@@H]1C[C@H]1c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 10/20 0.48
▸ HTR2C P28335 8/20 0.48
▸ MAOA P21397 7/20 0.48
▸ KDM1A O60341 5/20 0.48
▸ CYP2C19 P33261 4/20 0.48
▸ CYP2B6 P20813 3/20 0.48
▸ CYP1A2 P05177 2/20 0.48
▸ CYP2D6 P10635 2/20 0.48
▸ CYP2C9 P11712 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ TAAR1 Q96RJ0 2/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ HTR1A P08908 1/20 0.48
▸ ADRA2A P08913 1/20 0.48
▸ CYP2A6 P11509 1/20 0.48
▸ SLC6A2 P23975 1/20 0.48
▸ ADRA1A P35348 1/20 0.48
▸ DRD3 P35462 1/20 0.48
▸ SLC6A3 Q01959 1/20 0.48
▸ KCNH2 Q12809 1/20 0.48

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
SCHEMBL12728259 1.00 MAOB (0.48) MAOBHTR2CMAOAKDM1ACYP2C19
SCHEMBL18567234 1.00 MAOB (0.48) MAOBHTR2CMAOAKDM1ACYP2C19
SCHEMBL16762126 1.00 MAOB (0.48) MAOBHTR2CMAOAKDM1ACYP2C19
SCHEMBL446481 1.00 MAOB (0.48) MAOBHTR2CMAOAKDM1ACYP2C19
SCHEMBL3901979 0.80 HTR2A (0.46) HTR2CSLC6A2SLC6A3HSD17B10HTR2B
SCHEMBL9379826 0.79 ALOX5 (0.49) MAOBKDM1ALMNATAAR1KCNH2
SCHEMBL9379827 0.79 ALOX5 (0.49) MAOBKDM1ALMNATAAR1KCNH2
SCHEMBL2324658 0.78 KDM1A (0.52) MAOBHTR2CMAOAKDM1ACYP2C19
SCHEMBL22412604 0.78 DDB1 (0.37) MAOBMAOAKDM1ACYP2C19CYP1A2
SCHEMBL22412602 0.78 DDB1 (0.37) MAOBMAOAKDM1ACYP2C19CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11479867-B2 Electrocatalytic alkene diazidation CORNELL UNIVERSITY (US) 2022-10-25 — — US disclosed
US-11174282-B2 Aminosteroid derivatives and process for producing same UNIVERSITé LAVAL (CA) 2021-11-16 — — US disclosed
US-20170145032-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF THEIR USE SPINIFEX PHARMACEUTICALS PTY LTD (AU) 2017-05-25 — — US disclosed
US-20170145032-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF THEIR USE SPINIFEX PHARMACEUTICALS PTY LTD (AU) 2017-05-25 — — US disclosed
US-9624243-B2 Heterocyclic compounds and methods of their use NOVARTIS AG (CH) 2017-04-18 — — US disclosed
US-9624243-B2 Heterocyclic compounds and methods of their use NOVARTIS AG (CH) 2017-04-18 — — US disclosed
US-20140378430-A1 Heterocyclic Compounds and Methods of Their Use SPINIFEX PHARMACEUTICALS PTY LTD (AU) 2014-12-25 — — US disclosed
US-20140378430-A1 Heterocyclic Compounds and Methods of Their Use SPINIFEX PHARMACEUTICALS PTY LTD (AU) 2014-12-25 — — US disclosed
US-20140336208-A1 1,4,5,6-TETRAHYDRO-PYRIMIDIN-2-YLAMINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2014-11-13 — — US disclosed
US-8815881-B2 1,4,5,6-tetrahydro-pyrimidin-2-ylamine compounds HOFFMANN-LA ROCHE INC. (US) 2014-08-26 — — US disclosed
WO-2002100352-A2 NR2B RECEPTOR ANTAGONISTS FOR THE TREATMENT OR PREVENTION OF MIGRAINES MERCK & CO., INC. (US) 2002-12-19 — — WO disclosed
WO-2002080928-A1 N-SUBSTITUTED NONARYL-HETEROCYCLO AMIDYL NMDA/NR2B ANTAGONISTS MERCK & CO., INC. (US) 2002-10-17 — — WO disclosed
EP-0989114-B1 N,N-DISUBSTITUTED AMIC ACID DERIVATIVES BANYU PHARMA CO LTD (JP) 2002-07-24 — — EP disclosed
US-20020025948-A1 3-azabicyclo[3.1.0]hexane derivatives useful in therapy PFIZER INC. 2002-02-28 — — US disclosed
EP-0989114-A1 N,N-DISUBSTITUTED AMIC ACID DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2000-03-29 — — EP disclosed
US-5981573-A INHIBIT PROTEIN-FARNESYL TRANSFERASE (PFT) IN VIVO THEREBY SUPPRESSING FUNCTION OF ONCOGENE PROTEIN RAS AND THUS PRESENTING ANTITUMOR ACTIVITIES BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-11-09 — — US disclosed
EP-0436199-B1 Cyclopropyl derivative lipoxygenase inhibitors ABBOTT LAB (US) 1994-08-03 — — EP disclosed
US-5120752-A N-(1-(20(3-pyridyloxy)phenyl)cyclopropyl) alkyl-N-hydroxyurea compounds, antiinflammatory agents ABBOTT LABORATORIES (US) 1992-06-09 — — US disclosed
US-5037853-A Antiinflammatory agents ABBOTT LABORATORIES (US) 1991-08-06 — — US disclosed
EP-0436199-A1 Cyclopropyl derivative lipoxygenase inhibitors ABBOTT LABORATORIES (US) 1991-07-10 — — 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 (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-20140336208-A1 1,4,5,6-TETRAHYDRO-PYRIMIDIN-2-YLAMINE COMPOUNDS BACE2, BACE1, PSEN2 MAOB 396/4885HTR2C 808/4885MAOA 473/4885
US-20140378430-A1 Heterocyclic Compounds and Methods of Their Use AGTR2, AGTR1, BDKRB2 MAOB 1454/4885HTR2C 154/4885MAOA 1609/4885
US-20170145032-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF THEIR USE AGTR2, AGTR1, BDKRB2 MAOB 1454/4885HTR2C 154/4885MAOA 1609/4885
US-20020025948-A1 3-azabicyclo[3.1.0]hexane derivatives useful in therapy OPRD1, OPRK1, OPRM1 MAOB 1050/4885HTR2C 183/4885MAOA 1723/4885
US-11174282-B2 Aminosteroid derivatives and process for producing same HSD17B11, HSD17B7, CYP19A1 MAOB 3769/4885HTR2C 954/4885MAOA 4179/4885

“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.