Sugi Predict

Sugi Predict / Compounds / SCHEMBL4484310

SCHEMBL4484310

SCHEMBL4484310

OC1(c2ccc(Br)cn2)CCCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ABL1 P00519 2/20 0.37
▸ ADRA2A P08913 2/20 0.35
▸ ADRA2B P18089 2/20 0.35
▸ ADRA2C P18825 2/20 0.35
▸ PLAU P00749 1/20 0.35
▸ FDPS P14324 1/20 0.34
▸ NPC1 O15118 3/20 0.34
▸ RAB9A P51151 3/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ PDE10A Q9Y233 1/20 0.32
▸ BCHE P06276 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
SCHEMBL19127686 0.98 ABL1 (0.38) ALDH1A1KDM4EABL1ADRA2AADRA2B
SCHEMBL2147869 0.96 ALDH1A1 (0.37) ALDH1A1KDM4EABL1ADRA2AADRA2B
SCHEMBL15415643 0.84 TSHR (0.40) ALDH1A1KDM4EADRA2AADRA2BADRA2C
SCHEMBL2483006 0.82 ALDH1A1 (0.37) ALDH1A1KDM4EADRA2AADRA2BADRA2C
SCHEMBL15168507 0.82 ALDH1A1 (0.34) ALDH1A1KDM4EABL1ADRA2AADRA2B
SCHEMBL16554332 0.82 TSHR (0.35) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL15540251 0.81 HRH3 (0.40) ALDH1A1KDM4EHTTTSHRPDE10A
SCHEMBL745011 0.80 SMN1; SMN2 (0.35) ALDH1A1KDM4EADRA2AADRA2BADRA2C
SCHEMBL15611917 0.79 ALDH1A1 (0.36) ALDH1A1KDM4EADRA2AADRA2BADRA2C
SCHEMBL15612499 0.79 TSHR (0.36) ALDH1A1KDM4EADRA2AADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-2940024-B1 BENZOXAZINE OXAZOLIDINONE COMPOUND, PREPARATION METHOD AND APPLICATION THEREOF SHANGHAI INST MATERIA MEDICA CAS (CN) 2018-12-05 — — EP 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
EP-2922823-B1 PYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME (US) 2018-10-31 — — EP disclosed
US-20150307489-A1 PYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-10-29 — — US disclosed
EP-2922823-A1 PYRIMIDINE PDE10 INHIBITORS Merck Sharp & Dohme Corp. (US) 2015-09-30 — — EP disclosed
CN-103896963-A Benzoxazine oxazolidinone compounds, preparation method and applications thereof SHANGHAI INST MATERIA MEDICA 2014-07-02 — — CN disclosed
WO-2014081619-A1 PYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-05-30 — — WO disclosed
WO-2014081619-A1 PYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-05-30 — — WO disclosed
US-7479559-B2 3-[-2-(Piperazin-1-yl)benzyl]pyrrolidin-2-one derivatives; antidepressants, anxiolytic agents; obsessive compulsive disorder, psychological disorders, phobias; 5-HT1 agonist or antagonists; side effect reduction, in particular cardiac QTc prolongation; hydrogenation PFIZER INC. (US) 2009-01-20 — — US disclosed
CN-1934081-A Novel benayl(idene)-lactam derivatives PFIZER (US) 2007-03-21 — — CN disclosed
EP-1727794-A1 NOVEL BENZYL(IDENE)-LACTAM DERIVATIVES Pfizer Products Incorporated (US) 2006-12-06 — — EP disclosed
US-20050245521-A1 Novel benayl(idene)-lactam derivatives PFIZER INC. 2005-11-03 — — US disclosed
WO-2005090300-A1 NOVEL BENZYL(IDENE)-LACTAM DERIVATIVES PFIZER PRODUCTS INC. (US) 2005-09-29 — — 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 (6 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-20150307489-A1 PYRIMIDINE PDE10 INHIBITORS PDE12, PDE10A, PDE11A ALDH1A1 795/4885KDM4E 2308/4885ABL1 1812/4885
US-20050245521-A1 Novel benayl(idene)-lactam derivatives HTR1E, HTR1D, HTR1A ALDH1A1 411/4885KDM4E 1710/4885ABL1 2910/4885
US-11390623-B2 6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine dopamine D3 ligands DRD3, DRD2, DRD4 ALDH1A1 430/4885KDM4E 3195/4885ABL1 2976/4885
US-20200157098-A1 6,7,8,9-TETRAHYDRO-5H-PYRIDO[2,3-D]AZEPINE DOPAMINE D3 LIGANDS DRD3, DRD2, DRD4 ALDH1A1 430/4885KDM4E 3195/4885ABL1 2976/4885
US-10590128-B2 6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine dopamine D3 ligands DRD3, DRD2, DRD4 ALDH1A1 430/4885KDM4E 3195/4885ABL1 2976/4885
US-20190047997-A1 6,7,8,9-TETRAHYDRO-5H-PYRIDO[2,3-d]AZEPINE DOPAMINE D3 LIGANDS DRD3, DRD2, DRD4 ALDH1A1 430/4885KDM4E 3195/4885ABL1 2976/4885

“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.