Sugi Predict

Sugi Predict / Compounds / SCHEMBL4920

SCHEMBL4920

SCHEMBL4920

CCc1ccc(CCN)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 9/20 1.00
▸ CYP2A6 P11509 2/20 0.64
▸ CYP1A2 P05177 1/20 0.64
▸ HTR2A P28223 4/20 0.60
▸ BACE1 P56817 2/20 0.56
▸ KDM4E B2RXH2 1/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ HTR1A P08908 1/20 0.56
▸ ADRA2A P08913 1/20 0.56
▸ SLC6A2 P23975 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ HTR3A P46098 1/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ LOXL2 Q9Y4K0 2/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ BLM P54132 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ NOS3 P29474 2/20 0.50
▸ NOS1 P29475 2/20 0.50

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
Hydrochloric Acid SCHEMBL11513889 0.97 TAAR1 (0.95) TAAR1CYP2A6CYP1A2HTR2ABACE1
SCHEMBL10336304 0.93 TAAR1 (0.86) TAAR1CYP2A6CYP1A2HTR2ABACE1
SCHEMBL9467191 0.93 TAAR1 (0.86) TAAR1CYP2A6CYP1A2HTR2ABACE1
SCHEMBL224548 0.85 TAAR1 (0.72) TAAR1CYP2A6CYP1A2HTR2ABACE1
SCHEMBL8443722 0.84 TAAR1 (0.73) TAAR1CYP2A6CYP1A2HTR2ASMN1; SMN2
SCHEMBL3068192 0.83 TAAR1 (0.71) TAAR1CYP2A6CYP1A2HTR2ABACE1
SCHEMBL8324178 0.82 TAAR1 (0.70) TAAR1CYP2A6CYP1A2HTR2AKDM4E
SCHEMBL6546733 0.82 TAAR1 (0.68) TAAR1CYP2A6ALDH1A1L3MBTL1SMN1; SMN2
Hydrochloric Acid SCHEMBL3668004 0.82 BLM (0.74) TAAR1CYP2A6CYP1A2HTR2ABACE1
Hydrochloric Acid SCHEMBL3168355 0.82 BLM (0.74) TAAR1CYP2A6CYP1A2HTR2ABACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2074089-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2013-09-18 — — EP claimed
EP-2551675-A1 Deuterium free, stable isotope labeled 2-phenylethylamine hallucinogens and/or stimulants, methods fo their preparation and their use Chiron AS (NO) 2013-01-30 — — EP claimed
EP-2228065-B1 Heterocyclo inhibitors of potassium channel function BRISTOL MYERS SQUIBB CO (US) 2012-12-26 — — EP claimed
US-8222248-B2 Organic compounds NOVARTIS AG (CH) 2012-07-17 — — US claimed
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 — — EP claimed
EP-2074089-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2009-07-01 — — EP claimed
WO-2008048991-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2008-04-24 — — WO claimed
US-20030018045-A1 Heterocyclic beta-3 adrenergic receptor agonists WYETH (US) 2003-01-23 — — US claimed
US-6451814-B1 SUBSTITUTED 4-((4-AMINO-5-HYDROXYPHENYL)-OXY-)PIPERIDINE ANALOGS; METABOLIC DISORDERS; ANTIDIABETIC AGENTS; ATHERO-SCLEROSIS, GASTROINTESTINAL DISORDERS, GLAUCOMA, NEUROGENETIC INFLAMMATION, OCULAR HYPERTENSION AND FREQUENT URINATION WYETH 2002-09-17 — — US claimed
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists AMERICAN HOME PRODUCTS CORPORATION (US) 2002-03-07 — — US claimed
WO-2002006229-A2 HETEROCYCLIC BETA-3 ADRENERGIC RECEPTOR AGONISTS WYETH (US) 2002-01-24 — — WO claimed
WO-1994024095-A1 IMMUNOSUPPRESSIVE AGENTS ABBOTT LABORATORIES (US) 1994-10-27 — — WO claimed
US-20250145472-A1 METHOD FOR GENERATING CARBON DIOXIDE KOBE GAKUIN EDUCATIONAL FOUNDATION (JP) 2025-05-08 — — US disclosed
US-20250092020-A1 IDO/TDO Inhibitor GENERAL INCORPORATED ASSOCIATION PHARMA VALLEY PROJECT SUPPORTING ORGANIZATION (JP) 2025-03-20 — — US disclosed
US-12209079-B2 IDO/TDO inhibitor GENERAL INCORPORATED ASSOCIATION PHARMA VALLEY PROJECT SUPPORTING ORGANIZATION (JP) 2025-01-28 — — US disclosed
EP-4480568-A1 METHOD FOR GENERATING CARBON DIOXIDE Kobe Gakuin Educational Foundation (JP) 2024-12-25 — — EP disclosed
WO-1995004072-A1 PEPTOID ALPHA-1 ADRENERGIC RECEPTOR LIGANDS CHIRON CORPORATION (US) 1995-02-09 — — WO disclosed
WO-1994024095-A1 IMMUNOSUPPRESSIVE AGENTS ABBOTT LABORATORIES (US) 1994-10-27 — — WO disclosed
WO-1994006451-A1 SYNTHESIS OF N-SUBSTITUTED OLIGOMERS CHIRON CORPORATION (US) 1994-03-31 — — WO disclosed
US-4158063-A Acylamino(alkyl)benzene derivatives and process for preparing them HOECHST AKTIENGESELLSCHAFT (DE) 1979-06-12 — — 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 (4 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-12209079-B2 IDO/TDO inhibitor IDO1, IDO2, TDO2 TAAR1 582/4885CYP2A6 1301/4885CYP1A2 363/4885
US-20030018045-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB2, ADRB1, ADRB3 TAAR1 219/4885CYP2A6 1051/4885CYP1A2 257/4885
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 TAAR1 179/4885CYP2A6 1195/4885CYP1A2 296/4885
US-20250092020-A1 IDO/TDO Inhibitor IDO1, IDO2, TDO2 TAAR1 582/4885CYP2A6 1301/4885CYP1A2 363/4885

“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.