SCHEMBL5158294

SCHEMBL5158294

CN1CCN(c2ccccc2C=C2SCCN(c3ccc(C(F)(F)F)cc3)C2=O)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.49
SLC6A2 P23975 3/20 0.49
SLC6A4 P31645 2/20 0.49
SLC6A3 Q01959 2/20 0.49
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
FPR2 P25090 3/20 0.38
SRPK1 Q96SB4 1/20 0.37
CFTR P13569 1/20 0.37
TRPV4 Q9HBA0 1/20 0.37
HSD11B1 P28845 1/20 0.36
PIM1 P11309 2/20 0.36
PIM3 Q86V86 2/20 0.36
PIM2 Q9P1W9 2/20 0.36
HRH4 Q9H3N8 1/20 0.35
HTR2A P28223 2/20 0.35
HTR2C P28335 2/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
HTR6 P50406 1/20 0.35

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
SCHEMBL5158286 1.00 HTR1A (0.49) HTR1ASLC6A2SLC6A4SLC6A3MEN1
Hydrochloric Acid SCHEMBL6297750 0.98 HTR1A (0.48) HTR1ASLC6A2SLC6A4SLC6A3MEN1
Hydrochloric Acid SCHEMBL6297749 0.98 HTR1A (0.48) HTR1ASLC6A2SLC6A4SLC6A3MEN1
SCHEMBL5606694 0.87 HTR1A (0.47) HTR1ASLC6A2SLC6A4SLC6A3FPR2
SCHEMBL5606054 0.87 HTR1A (0.49) HTR1ASLC6A2SLC6A4SLC6A3MEN1
SCHEMBL5606688 0.87 HTR1A (0.47) HTR1ASLC6A2SLC6A4SLC6A3FPR2
SCHEMBL5606051 0.87 HTR1A (0.49) HTR1ASLC6A2SLC6A4SLC6A3MEN1
SCHEMBL5177706 0.87 HTR1A (0.49) HTR1ASLC6A2SLC6A4SLC6A3MEN1
SCHEMBL5177713 0.87 HTR1A (0.49) HTR1ASLC6A2SLC6A4SLC6A3MEN1
SCHEMBL22411077 0.83 SRPK1 (0.36) HTR1ASLC6A2SLC6A4SLC6A3FPR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2005067973-A2 COMBINATION OF CRF ANTAGONISTS AND 5-HT 1B RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2005-07-28 WO 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.