Sugi Predict

Sugi Predict / Compounds / SCHEMBL4667689

SCHEMBL4667689

SCHEMBL4667689

NCC1c2ccccc2Oc2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 5/20 0.58
▸ MAOA P21397 1/20 0.52
▸ MAOB P27338 1/20 0.52
▸ RET P07949 1/20 0.52
▸ HTR2C P28335 1/20 0.52
▸ HRH1 P35367 1/20 0.52
▸ ATM Q13315 2/20 0.48
▸ CYP2C9 P11712 1/20 0.44
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ GRM2 Q14416 4/20 0.42
▸ GRM3 Q14832 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ GRM8 O00222 1/20 0.42
▸ GRM5 P41594 1/20 0.42
▸ GRM1 Q13255 1/20 0.42
▸ GRM7 Q14831 1/20 0.42
▸ GRM4 Q14833 1/20 0.42

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
SCHEMBL11615204 0.83 HTR2A (0.55) HTR2AMAOAMAOBHRH1ATM
SCHEMBL31622921 0.77 MAOA (0.52) MAOAMAOBATMCYP2C9MEN1
SCHEMBL31410667 0.77 MAOA (0.58) MAOAMAOBATMCYP2C9MEN1
SCHEMBL30607016 0.77 MAOA (0.52) MAOAMAOBATMCYP2C9MEN1
SCHEMBL1323794 0.77 MAOA (0.52) MAOAMAOBATMCYP2C9MEN1
SCHEMBL1077580 0.77 MAOA (0.52) MAOAMAOBATMMEN1KMT2A
SCHEMBL8820720 0.77 MAOA (0.58) MAOAMAOBATMCYP2C9MEN1
SCHEMBL7338227 0.77 MAOA (0.52) MAOAMAOBATMCYP2C9MEN1
SCHEMBL7452862 0.77 MAOA (0.52) MAOAMAOBATMCYP2C9MEN1
SCHEMBL2736396 0.77 MAOA (0.52) HTR2AMAOAMAOBHRH1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080194629-A1 3-Mono-and 3,5-Disubstituted Piperidine Derivatives as Renin Inhibitors BAESCHLIN DANIEL KASPAR 2008-08-14 — — US claimed
EP-1879882-A1 3 -M0N0- AND 3 , 5-DISUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS Novartis AG (CH) 2008-01-23 — — EP claimed
WO-2006117183-A1 3 -M0N0- AND 3 , 5-DISUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS NOVARTIS AG (CH) 2006-11-09 — — WO claimed
US-20080194629-A1 3-Mono-and 3,5-Disubstituted Piperidine Derivatives as Renin Inhibitors BAESCHLIN DANIEL KASPAR 2008-08-14 — — US disclosed
US-20080194629-A1 3-Mono-and 3,5-Disubstituted Piperidine Derivatives as Renin Inhibitors BAESCHLIN DANIEL KASPAR 2008-08-14 — — US disclosed
US-20080194629-A1 3-Mono-and 3,5-Disubstituted Piperidine Derivatives as Renin Inhibitors BAESCHLIN DANIEL KASPAR 2008-08-14 — — US disclosed
CN-101171248-A 3-mono- and 3,5-disubstituted piperidine derivatives as renin inhibitors NOVARTIS AG (CH) 2008-04-30 — — CN disclosed
EP-1879882-A1 3 -M0N0- AND 3 , 5-DISUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS Novartis AG (CH) 2008-01-23 — — EP disclosed
US-7307080-B2 Compounds, methods and pharmaceutical compositions for treating cellular damage, such as neural or cardiovascular tissue damage MGI GP, INC. (US) 2007-12-11 — — US disclosed
US-7307080-B2 Compounds, methods and pharmaceutical compositions for treating cellular damage, such as neural or cardiovascular tissue damage MGI GP, INC. (US) 2007-12-11 — — US disclosed
US-7307080-B2 Compounds, methods and pharmaceutical compositions for treating cellular damage, such as neural or cardiovascular tissue damage MGI GP, INC. (US) 2007-12-11 — — US disclosed
WO-1999011645-A1 POLY(ADP-RIBOSE) POLYMERASE ('PARP') INHIBITORS, METHODS AND PHARMACEUTICAL COMPOSITIONS FOR TREATING NEURAL OR CARDIOVASCULAR TISSUE DAMAGE GUILFORD PHARMACEUTICALS INC. (US) 1999-03-11 — — WO disclosed
EP-0335375-B1 ANTIHYPERLIPIDEMIC AND ANTIATHEROSCLEROTIC COMPOUNDS AND COMPOSITIONS WARNER-LAMBERT COMPANY (US) 1993-06-09 — — EP disclosed
US-5030653-A N-2,6-dialkyl- or n-2,6-dialkoxyphenyl-n-arylalkylurea compounds WARNER-LAMBERT COMPANY (US) 1991-07-09 — — US disclosed
US-4999373-A Phenyl ureas or thioureas substituted with a xanthene or thioxanthene group WARNER-LAMBERT COMPANY (US) 1991-03-12 — — US disclosed
US-4948806-A N-2,6-DIALKYL-OR N-2,6-DIALKOXYPHENYL-N'-ARYLALKYLUREA WARNER-LAMBERT COMPANY (US) 1990-08-14 — — US disclosed
EP-0335375-A2 Antihyperlipidemic and antiatherosclerotic compounds and compositions WARNER-LAMBERT COMPANY (US) 1989-10-04 — — EP disclosed
US-4868210-A PHENYL UREAS AND PHENYL THIOUREAS WARNER-LAMBERT COMPANY (US) 1989-09-19 — — US disclosed
US-4054569-A CNS DEPRESSANTS, ANTICONVULSIVES, ANTIINFLAMMATORY AYERST MCKENNA & HARRISON LTD. (CA) 1977-10-18 — — US disclosed
US-3985751-A CNS DEPRESSANTS, ANTICONVULSANT AND ANTIINFLAMMATORY AGENTS AYERST MCKENNA AND HARRISON LTD. (CA) 1976-10-12 — — 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 (1 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-20080194629-A1 3-Mono-and 3,5-Disubstituted Piperidine Derivatives as Renin Inhibitors REN, ACE, AGTR1 HTR2A 2157/4885MAOA 547/4885MAOB 575/4885

“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.