Sugi Predict

Sugi Predict / Compounds / SCHEMBL341408

SCHEMBL341408

SCHEMBL341408

COc1ccc(CNC(=O)N(Cc2ccc(C)cc2)C2CCN(C(C)(C)C)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 13/20 0.57
▸ HRH3 Q9Y5N1 3/20 0.52
▸ HTR2C P28335 3/20 0.52
▸ CYP1A2 P05177 2/20 0.52
▸ CYP2C19 P33261 2/20 0.52
▸ KCNH2 Q12809 2/20 0.52
▸ ABCB11 O95342 1/20 0.52
▸ ADRB2 P07550 1/20 0.52
▸ CHRM2 P08172 1/20 0.52
▸ CHRM1 P11229 1/20 0.52
▸ DRD1 P21728 1/20 0.52
▸ TBXA2R P21731 1/20 0.52
▸ SLC6A2 P23975 1/20 0.52
▸ GPR183 P32249 1/20 0.52
▸ ADRA1A P35348 1/20 0.52
▸ OPRM1 P35372 1/20 0.52
▸ APLNR P35414 1/20 0.52
▸ DRD3 P35462 1/20 0.52
▸ CX3CR1 P49238 1/20 0.52
▸ SLC6A3 Q01959 1/20 0.52

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
SCHEMBL3705353 1.00 HTR2A (0.57) HTR2AHRH3HTR2CCYP1A2CYP2C19
SCHEMBL342509 0.89 HTR2A (0.72) HTR2AHRH3HTR2CCYP1A2CYP2C19
SCHEMBL7085209 0.86 HTR2A (0.57) HTR2AHRH3HTR2CCYP1A2CYP2C19
SCHEMBL341821 0.85 HTR2A (0.60) HTR2AOPRM1CCR5POLBUBE2M
SCHEMBL3961952 0.80 HTR2A (0.77) HTR2AHRH3HTR2CCYP1A2CYP2C19
SCHEMBL25465874 0.79 HTR2A (0.62) HTR2AHRH3HTR2CCYP1A2CYP2C19
SCHEMBL340169 0.77 HTR2A (0.59) HTR2AHRH3HTR2CCYP1A2CYP2C19
SCHEMBL5329449 0.77 HTR2A (0.59) HTR2AHRH3HTR2CCYP1A2CYP2C19
SCHEMBL4218726 0.77 HTR2A (0.55) HTR2ACYP2C19UBE2MDCUN1D1PKM
SCHEMBL7473287 0.77 HTR2A (0.55) HTR2ACYP2C19UBE2MDCUN1D1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1787984-B1 AZACYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF SEROTONIN RELATED DISEASES ACADIA PHARM INC (US) 2016-10-19 — — EP claimed
US-20140350064-A1 PHARMACEUTICAL COMPOSITION COMPRISING AN AMPK ACTIVATOR AND A SEROTONERGIC AGENT AND METHODS OF USE THEREOF ALS MOUNTAIN LLC 2014-11-27 — — US claimed
US-20120183600-A1 NOVEL COMPOSITION FOR TREATING METABOLIC SYNDROME AND OTHER CONDITIONS CHEN CHIEN-HUNG (US) 2012-07-19 — — US claimed
US-20090186921-A1 AZACYCLIC COMPOUNDS ACADIA PHARMACEUTICALS, INC. (US) 2009-07-23 — — US claimed
EP-1787984-A2 AZACYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF SEROTONIN RELATED DISEASES Arcadia Pharmaceuticals Inc. (US) 2007-05-23 — — EP claimed
EP-1263729-B1 AZACYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF SEROTONIN RELATED DISEASES ACADIA PHARM INC (US) 2006-12-20 — — EP claimed
US-20060194778-A1 Serotonin receptor antagonist; psychological disorders; side effect reduction ACADIA PHARMACEUTICALS, INC. 2006-08-31 — — US claimed
US-20050014757-A1 Azacyclic compounds ANDERSSON CARL-MAGNUS A (DK) 2005-01-20 — — US claimed
US-20030220316-A1 Azacyclic compounds ACADIA PHARMACEUTICALS INC. 2003-11-27 — — US claimed
US-20020004513-A1 Azacyclic compounds ACADIA PHARMACEUTICALS INC. 2002-01-10 — — US claimed
US-9765053-B2 Methods of treatment using selective 5-HT2A inverse agonists ACADIA PHARMACEUTICALS INC. (US) 2017-09-19 — — US disclosed
US-20170165273-A9 METHODS OF TREATMENT USING SELECTIVE 5-HT2A INVERSE AGONISTS ANDERSSON CARL-MAGNUS A (DK) 2017-06-15 — — US disclosed
EP-1787984-B1 AZACYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF SEROTONIN RELATED DISEASES ACADIA PHARM INC (US) 2016-10-19 — — EP disclosed
US-20160237036-A1 AZACYCLIC COMPOUNDS ACADIA PHARM INC (US) 2016-08-18 — — US disclosed
US-9296694-B2 Azacyclic compounds ACADIA PHARMACEUTICALS INC. (US) 2016-03-29 — — US disclosed
US-6815458-B2 NERVOUS SYSTEM DISORDERS ACADIA PHARMACEUTICALS, INC 2004-11-09 — — US disclosed
US-6756393-B2 AMIDES AND UREAS N-SUBSTITUTED WITH PIPERIDINE OR NORTROPANE; SEROTONIN INVERSE AGONISTS OR ANTAGONISTS; ANTIPSYCHOTIC ACADIA PHARMACEUTICALS, INC. 2004-06-29 — — US disclosed
US-20030220316-A1 Azacyclic compounds ACADIA PHARMACEUTICALS INC. 2003-11-27 — — US disclosed
CN-1443167-A Azacyclo compounds for the treatment of 5-hydroxytryptamine related disorders ACADIA PHARM INC (US) 2003-09-17 — — CN disclosed
US-20020004513-A1 Azacyclic compounds ACADIA PHARMACEUTICALS INC. 2002-01-10 — — 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 (7 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-20090186921-A1 AZACYCLIC COMPOUNDS HTR6, HTR5A, HNMT HTR2A 6/4885HRH3 111/4885HTR2C 10/4885
US-20030220316-A1 Azacyclic compounds HTR6, TPMT, HNMT HTR2A 10/4885HRH3 194/4885HTR2C 7/4885
US-20020004513-A1 Azacyclic compounds HTR6, TPMT, HNMT HTR2A 10/4885HRH3 194/4885HTR2C 7/4885
US-20050014757-A1 Azacyclic compounds HTR6, TPMT, HNMT HTR2A 10/4885HRH3 194/4885HTR2C 7/4885
US-20170165273-A9 METHODS OF TREATMENT USING SELECTIVE 5-HT2A INVERSE AGONISTS HTR2A, HTR5A, HTR3B HTR2A 1/4885HRH3 126/4885HTR2C 4/4885
US-20160237036-A1 AZACYCLIC COMPOUNDS HTR6, TPMT, HNMT HTR2A 10/4885HRH3 194/4885HTR2C 7/4885
US-20060194778-A1 Serotonin receptor antagonist; psychological disorders; side effect reduction HTR2A, HTR1A, HTR1B HTR2A 1/4885HRH3 221/4885HTR2C 7/4885

“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.