SCHEMBL5158557

SCHEMBL5158557

CN1CCN(c2ccccc2C=C2SCCN(Cc3ccc(Cl)c(Cl)c3)C2=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
DRD3 P35462 1/20 0.41
KCNH2 Q12809 1/20 0.41
ALDH1A1 P00352 4/20 0.40
HPGD P15428 2/20 0.40
MAPK1 P28482 1/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TP53 P04637 4/20 0.38
MAPT P10636 3/20 0.38
HSD17B10 Q99714 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 2/20 0.38
APAF1 O14727 1/20 0.38
BCHE P06276 1/20 0.38

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
SCHEMBL5158547 1.00 HTR1A (0.41) HTR1ASLC6A2SLC6A4SLC6A3DRD3
Hydrochloric Acid SCHEMBL6298815 0.98 HTR1A (0.40) HTR1ASLC6A2SLC6A4SLC6A3DRD3
Hydrochloric Acid SCHEMBL6298818 0.98 HTR1A (0.40) HTR1ASLC6A2SLC6A4SLC6A3DRD3
SCHEMBL5164388 0.89 MAPK1 (0.49) HTR1ASLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL5158544 0.89 MAPK1 (0.49) HTR1ASLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL6431012 0.82 HDAC1 (0.47) HTR1ADRD3KCNH2ALDH1A1DRD2
SCHEMBL6433633 0.82 HDAC1 (0.47) HTR1ADRD3KCNH2ALDH1A1DRD2
Elzasonan SCHEMBL5159337 0.82 SLC6A2 (0.49) HTR1ASLC6A2SLC6A4SLC6A3KCNH2
Elzasonan SCHEMBL5159632 0.82 SLC6A2 (0.49) HTR1ASLC6A2SLC6A4SLC6A3KCNH2
Elzasonan SCHEMBL5159647 0.82 SLC6A2 (0.49) HTR1ASLC6A2SLC6A4SLC6A3KCNH2

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 63 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
EP-1753460-A2 COMBINATION OF ATYPICAL ANTIPSYCHOTICS AND 5-HT1B RECEPTOR ANTAGONISTS Pfizer Products Inc. (US) 2007-02-21 EP claimed
EP-1737466-A1 COMBINATION OF y-AMINOBUTYRIC ACID MODULATORS AND 5-HT-1b RECEPTOR ANTAGONISTS Pfizer Products Inc. (US) 2007-01-03 EP claimed
EP-1703918-A2 COMBINATION OF CRF ANTAGONISTS AND 5-HT 1B RECEPTOR ANTAGONISTS Pfizer Products Incorporated (US) 2006-09-27 EP claimed
US-20060052373-A1 Combination of dopamine agonists and aralkyl and aralkylidene heterocyclic lactams and imides PFIZER INC 2006-03-09 US claimed
US-20050256112-A1 Combination of atypical antipsychotics and 5HT-1B receptor antagonists PFIZER INC 2005-11-17 US claimed
WO-2005107808-A2 COMBINATION OF ATYPICAL ANTIPSYCHOTICS AND 5-HT1B RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2005-11-17 WO claimed
WO-2005082372-A1 COMBINATION OF γ-AMINOBUTYRIC ACID MODULATORS AND 5-HT 1B RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2005-09-09 WO claimed
US-20050182049-A1 Combination of gamma-aminobutyric acid modulators and 5-HT1B receptor antagonists PFIZER INC 2005-08-18 US claimed
US-20050171095-A1 Combination of CRF antagonists and 5-HT1B receptor antagonists PFIZER INC 2005-08-04 US claimed
US-20020091117-A1 ARALKYL AND ARALKYLIDENE HETEROCYCLIC LACTAMS AND IMIDES PFIZER INC. 2002-07-11 US claimed
US-20020091118-A1 ARALKYL AND ARALKYLIDENE HETEROCYCLIC LACTAMS AND IMIDES PFIZER INC. 2002-07-11 US claimed
US-20020091119-A1 Aralkyl and aralkylidene heterocyclic lactams and imides PFIZER INC. 2002-07-11 US claimed
US-20020072519-A1 Aralkyl and aralkylidene heterocyclic lactams and imides PFIZER INC. 2002-06-13 US claimed
US-6380186-B1 PSYCHOTHERAPEUTIC AGENTS PFIZER INC 2002-04-30 US claimed
US-20020049211-A1 Combination treatment for depression and anxiety SOBOLOV-JAYNES SUSAN BETH (US) 2002-04-25 US claimed
US-20020049214-A1 Aralkyl and aralkylidene heterocyclic lactams and imides PFIZER PRODUCTS INC. 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
EP-0929528-A1 ARALKYL AND ARALKYLIDENE HETEROCYCLIC LACTAMS AND IMIDES PFIZER INC. (US) 1999-07-21 EP claimed
WO-1998014433-A1 ARALKYL AND ARALKYLIDENE HETEROCYCLIC LACTAMS AND IMIDES PFIZER INC. (US) 1998-04-09 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 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-20020091118-A1 ARALKYL AND ARALKYLIDENE HETEROCYCLIC LACTAMS AND IMIDES MRPL21, ARAF, ARL1 HTR1A 1064/4885SLC6A2 4351/4885SLC6A4 4583/4885
US-20020091119-A1 Aralkyl and aralkylidene heterocyclic lactams and imides MRPL21, ARAF, ARL1 HTR1A 1064/4885SLC6A2 4351/4885SLC6A4 4583/4885
US-20020049214-A1 Aralkyl and aralkylidene heterocyclic lactams and imides MRPL21, ARAF, ARL1 HTR1A 797/4885SLC6A2 4180/4885SLC6A4 4503/4885
US-20060052373-A1 Combination of dopamine agonists and aralkyl and aralkylidene heterocyclic lactams and imides DRD2, OPRL1, SLC6A3 HTR1A 124/4885SLC6A2 20/4885SLC6A4 107/4885
US-20020049211-A1 Combination treatment for depression and anxiety HTR1A, HTR1D, HTR5A HTR1A 1/4885SLC6A2 39/4885SLC6A4 36/4885
US-20050256112-A1 Combination of atypical antipsychotics and 5HT-1B receptor antagonists HTR1B, HTR2B, HTR3B HTR1A 4/4885SLC6A2 59/4885SLC6A4 26/4885
US-20050182049-A1 Combination of gamma-aminobutyric acid modulators and 5-HT1B receptor antagonists HTR1B, HTR2B, HTR2A HTR1A 5/4885SLC6A2 92/4885SLC6A4 45/4885
US-20020072519-A1 Aralkyl and aralkylidene heterocyclic lactams and imides MRPL21, ARAF, ARL1 HTR1A 1064/4885SLC6A2 4351/4885SLC6A4 4583/4885
US-20020091117-A1 ARALKYL AND ARALKYLIDENE HETEROCYCLIC LACTAMS AND IMIDES MRPL21, ARAF, ARL1 HTR1A 1064/4885SLC6A2 4351/4885SLC6A4 4583/4885
US-20050171095-A1 Combination of CRF antagonists and 5-HT1B receptor antagonists HTR2B, HTR1B, HTR3B HTR1A 8/4885SLC6A2 88/4885SLC6A4 59/4885

“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.