Sugi Predict

Sugi Predict / Compounds / SCHEMBL2015709

SCHEMBL2015709

SCHEMBL2015709

O[C@H]1C[C@H](c2ccc(Br)cc2)C1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 5/20 0.46
▸ KCNH2 Q12809 2/20 0.46
▸ MAOB P27338 2/20 0.46
▸ RCOR1 Q9UKL0 2/20 0.46
▸ KDM1B Q8NB78 1/20 0.46
▸ HTR2C P28335 2/20 0.41
▸ HTR2B P41595 2/20 0.41
▸ ESR2 Q92731 2/20 0.40
▸ BRD4 O60885 1/20 0.40
▸ CYP2A6 P11509 1/20 0.38
▸ SLC18A3 Q16572 2/20 0.37
▸ SIGMAR1 Q99720 2/20 0.37
▸ ALOX15 P16050 1/20 0.36
▸ MAPT P10636 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL1003121 1.00 KDM1A (0.46) KDM1AKCNH2MAOBRCOR1KDM1B
SCHEMBL1003122 1.00 KDM1A (0.46) KDM1AKCNH2MAOBRCOR1KDM1B
SCHEMBL3497539 0.85 ESR2 (0.50) KDM1AKCNH2MAOBRCOR1KDM1B
SCHEMBL3496853 0.85 ESR2 (0.50) KDM1AKCNH2MAOBRCOR1KDM1B
SCHEMBL3497441 0.85 ESR2 (0.50) KDM1AKCNH2MAOBRCOR1KDM1B
SCHEMBL5228850 0.85 ESR2 (0.50) KDM1AKCNH2MAOBRCOR1KDM1B
SCHEMBL5227466 0.81 CNR2 (0.55) KDM1AKCNH2MAOBRCOR1KDM1B
SCHEMBL7151961 0.79 ESR2 (0.65) KDM1AKCNH2MAOBRCOR1KDM1B
SCHEMBL16669646 0.79 ESR2 (0.65) KDM1AKCNH2MAOBRCOR1KDM1B
SCHEMBL7151959 0.79 ESR2 (0.65) KDM1AKCNH2MAOBRCOR1KDM1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024008909-A1 INHIBITORS OF CORONAVIRUS JANSSEN PHARMACEUTICA NV (BE) 2024-01-11 — — WO disclosed
US-11390623-B2 6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine dopamine D3 ligands PFIZER INC. (US) 2022-07-19 — — US disclosed
CN-108884093-B Dopamine D3 ligand compound 辉瑞公司 2021-07-09 — — CN disclosed
EP-3402796-B1 6,7,8,9-TETRAHYDRO-5H-PYRIDO[2,3-D]AZEPINE DOPAMINE D3 LIGANDS PFIZER (US) 2020-11-18 — — EP disclosed
EP-3402796-B1 6,7,8,9-TETRAHYDRO-5H-PYRIDO[2,3-D]AZEPINE DOPAMINE D3 LIGANDS PFIZER (US) 2020-11-18 — — EP disclosed
US-20200157098-A1 6,7,8,9-TETRAHYDRO-5H-PYRIDO[2,3-D]AZEPINE DOPAMINE D3 LIGANDS PFIZER (US) 2020-05-21 — — US disclosed
US-10590128-B2 6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine dopamine D3 ligands PFIZER, INC. (US) 2020-03-17 — — US disclosed
EP-3191445-B1 CYCLOBUTANE CONTAINING CARBOXYLIC ACID GPR120 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2019-06-12 — — EP disclosed
US-20190047997-A1 6,7,8,9-TETRAHYDRO-5H-PYRIDO[2,3-d]AZEPINE DOPAMINE D3 LIGANDS PFIZER INC. (US) 2019-02-14 — — US disclosed
EP-3402796-A1 6,7,8,9-TETRAHYDRO-5H-PYRIDO[2,3-d]AZEPINE DOPAMINE D3 LIGANDS Pfizer Inc (US) 2018-11-21 — — EP disclosed
US-20140128363-A1 N-Link Hydroxamic Acid Derivatives Useful As Antibacterial Agents PFIZER (US) 2014-05-08 — — US disclosed
US-8664401-B2 N-linked hydroxamic acid derivatives useful as antibacterial agents PFIZER INC. (US) 2014-03-04 — — US disclosed
WO-2013153479-A2 INDOLE AND INDAZOLE COMPOUNDS THAT ACTIVATE AMPK PFIZER INC. (US) 2013-10-17 — — WO disclosed
US-20130267493-A1 INDOLE AND INDAZOLE COMPOUNDS THAT ACTIVATE AMPK PFIZER INC. (US) 2013-10-10 — — US disclosed
EP-2512474-A1 N-LINKED HYDROXAMIC ACID DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS Pfizer Inc. (US) 2012-10-24 — — EP disclosed
US-20120258948-A1 N-Linked Hydroxamic Acid Derivatives Useful As Antibacterial Agents PFIZER INC. 2012-10-11 — — US disclosed
EP-2393811-A1 4-AMINO-7,8-DIHYDROPYRIDO[4,3-D]PYRIMIDIN-5(6H)-ONE DERIVATIVES Pfizer Inc. (US) 2011-12-14 — — EP disclosed
WO-2011073845-A1 N-LINKED HYDROXAMIC ACID DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS PFIZER INC. (US) 2011-06-23 — — WO disclosed
WO-2010089686-A1 4-AMINO-7,8-DIHYDROPYRIDO[4,3-D]PYRIMIDIN-5(6H)-ONE DERIVATIVES PFIZER INC. (US) 2010-08-12 — — WO disclosed
US-20100197591-A1 4-AMINO-7,8-DIHYDROPYRIDO[4,3-d]PYRIMIDIN-5(6H)-ONE DERIVATIVES PFIZER INC 2010-08-05 — — US 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 (8 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-20120258948-A1 N-Linked Hydroxamic Acid Derivatives Useful As Antibacterial Agents LPXN, LCT, HAX1 KDM1A 231/4885KCNH2 3849/4885MAOB 1246/4885
US-20100197591-A1 4-AMINO-7,8-DIHYDROPYRIDO[4,3-d]PYRIMIDIN-5(6H)-ONE DERIVATIVES CDK7, DPYD, DHFR KDM1A 2278/4885KCNH2 607/4885MAOB 1238/4885
US-20140128363-A1 N-Link Hydroxamic Acid Derivatives Useful As Antibacterial Agents LPXN, NAAA, AGXT KDM1A 536/4885KCNH2 4370/4885MAOB 1689/4885
US-11390623-B2 6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine dopamine D3 ligands DRD3, DRD2, DRD4 KDM1A 3863/4885KCNH2 1426/4885MAOB 103/4885
US-20200157098-A1 6,7,8,9-TETRAHYDRO-5H-PYRIDO[2,3-D]AZEPINE DOPAMINE D3 LIGANDS DRD3, DRD2, DRD4 KDM1A 3863/4885KCNH2 1426/4885MAOB 103/4885
US-10590128-B2 6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine dopamine D3 ligands DRD3, DRD2, DRD4 KDM1A 3863/4885KCNH2 1426/4885MAOB 103/4885
US-20130267493-A1 INDOLE AND INDAZOLE COMPOUNDS THAT ACTIVATE AMPK PRKAG1, PRKAG3, PRKAG2 KDM1A 1515/4885KCNH2 3475/4885MAOB 1370/4885
US-20190047997-A1 6,7,8,9-TETRAHYDRO-5H-PYRIDO[2,3-d]AZEPINE DOPAMINE D3 LIGANDS DRD3, DRD2, DRD4 KDM1A 3863/4885KCNH2 1426/4885MAOB 103/4885

“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.