Sugi Predict

Sugi Predict / Compounds / SCHEMBL5606575

SCHEMBL5606575

SCHEMBL5606575

CN(C)CCOc1ccccc1C=C1SCCN(c2ccc(Cl)c(Cl)c2)C1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 7/20 0.52
▸ HTR2A P28223 5/20 0.52
▸ HTR2B P41595 5/20 0.38
▸ SLC6A2 P23975 3/20 0.37
▸ SLC6A4 P31645 3/20 0.37
▸ SLC6A3 Q01959 3/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ HTR1A P08908 1/20 0.37
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL5606571 1.00 HTR2C (0.52) HTR2CHTR2AHTR2BSLC6A2SLC6A4
SCHEMBL6468100 0.85 HTR2C (0.56) HTR2CHTR2AHTR2BSLC6A2SLC6A4
SCHEMBL6468095 0.85 HTR2C (0.56) HTR2CHTR2AHTR2BSLC6A2SLC6A4
SCHEMBL5606377 0.84 HTR2A (0.38) HTR2CHTR2ASLC6A2SLC6A4SLC6A3
SCHEMBL5606375 0.84 HTR2A (0.38) HTR2CHTR2ASLC6A2SLC6A4SLC6A3
SCHEMBL22410927 0.82 HTR2A (0.36) HTR2CHTR2ASLC6A2SLC6A4SLC6A3
SCHEMBL5161564 0.81 CHRNB4 (0.43) —
SCHEMBL5161568 0.81 CHRNB4 (0.43) —
SCHEMBL27476475 0.78 HTR2A (0.44) HTR2CHTR2AHTR2BSLC6A2SLC6A4
Elzasonan SCHEMBL5159632 0.75 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007026219-A2 COMBINATIONS OF A 5-HT1B ANTAGONIST WITH A NORADRENALIN RE-UPTAKE INHIBITOR OR A SEROTONIN NORADRENALIN REUTAKE INHIBITOR FOR TREATING CNS CONDITIONS PFIZER PRODUCTS INC. (US) 2007-03-08 — — WO claimed
US-20020049211-A1 Combination treatment for depression and anxiety SOBOLOV-JAYNES SUSAN BETH (US) 2002-04-25 — — US claimed
EP-1186318-A2 Combination, for treating depression and anxiety, containing a 5HT1d receptor antagonist and aCNS penetrant NK-1 receptor antagonist Pfizer Products Inc. (US) 2002-03-13 — — EP claimed
WO-2020183011-A1 HTR1D INHIBITORS AND USES THEREOF IN THE TREATMENT OF CANCER INSTITUT CURIE (FR) 2020-09-17 — — WO disclosed
WO-2007026219-A2 COMBINATIONS OF A 5-HT1B ANTAGONIST WITH A NORADRENALIN RE-UPTAKE INHIBITOR OR A SEROTONIN NORADRENALIN REUTAKE INHIBITOR FOR TREATING CNS CONDITIONS PFIZER PRODUCTS INC. (US) 2007-03-08 — — WO disclosed
US-20060052373-A1 Combination of dopamine agonists and aralkyl and aralkylidene heterocyclic lactams and imides PFIZER INC 2006-03-09 — — US disclosed
EP-1562908-A1 QUINOLINE DERIVATIVES Pfizer Products Inc. (US) 2005-08-17 — — EP disclosed
US-6921760-B2 Aralkyl and aralkylidene heterocyclic lactams and imides PFIZER INC. (US) 2005-07-26 — — US disclosed
WO-2005053701-A1 COMBINATION OF DOPAMINE AGONISTS AND ARALKYL AND ARALKYLIDENE HETEROCYCLIC LACTAMS AND IMIDES PFIZER PRODUCTS INC. (US) 2005-06-16 — — WO disclosed
WO-2004043929-A1 QUINOLINE DERIVATIVES PFIZER PRODUCTS INC. (US) 2004-05-27 — — WO disclosed
US-6627627-B2 Useful as psychotherapeutic agents PFIZER INC. 2003-09-30 — — US disclosed
WO-2002046167-A1 BENZYL (IDENE)-LACTAMS AND THEIR USE AS 5HT1-RECEPTOR LIGANDS PFIZER PRODUCTS INC. (US) 2002-06-13 — — WO disclosed
US-20020072519-A1 Aralkyl and aralkylidene heterocyclic lactams and imides PFIZER INC. 2002-06-13 — — US disclosed
US-6403592-B1 SEROTONIN REUPTAKE INHIBITORS PFIZER INC 2002-06-11 — — US disclosed
US-6380186-B1 PSYCHOTHERAPEUTIC AGENTS PFIZER INC 2002-04-30 — — US disclosed
US-20020049211-A1 Combination treatment for depression and anxiety SOBOLOV-JAYNES SUSAN BETH (US) 2002-04-25 — — US disclosed
US-20020049214-A1 Aralkyl and aralkylidene heterocyclic lactams and imides PFIZER PRODUCTS INC. 2002-04-25 — — US disclosed
EP-1186318-A2 Combination, for treating depression and anxiety, containing a 5HT1d receptor antagonist and aCNS penetrant NK-1 receptor antagonist Pfizer Products Inc. (US) 2002-03-13 — — EP disclosed
EP-0929528-A1 ARALKYL AND ARALKYLIDENE HETEROCYCLIC LACTAMS AND IMIDES PFIZER INC. (US) 1999-07-21 — — EP disclosed
WO-1998014433-A1 ARALKYL AND ARALKYLIDENE HETEROCYCLIC LACTAMS AND IMIDES PFIZER INC. (US) 1998-04-09 — — 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 (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-20020049214-A1 Aralkyl and aralkylidene heterocyclic lactams and imides MRPL21, ARAF, ARL1 HTR2C 821/4885HTR2A 1390/4885HTR2B 2088/4885
US-20060052373-A1 Combination of dopamine agonists and aralkyl and aralkylidene heterocyclic lactams and imides DRD2, OPRL1, SLC6A3 HTR2C 50/4885HTR2A 83/4885HTR2B 163/4885
US-20020049211-A1 Combination treatment for depression and anxiety HTR1A, HTR1D, HTR5A HTR2C 46/4885HTR2A 10/4885HTR2B 18/4885
US-20020072519-A1 Aralkyl and aralkylidene heterocyclic lactams and imides MRPL21, ARAF, ARL1 HTR2C 1040/4885HTR2A 1741/4885HTR2B 2320/4885

“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.