SCHEMBL5606664

SCHEMBL5606664

CN1CCN(c2ccccc2C=C2C(=O)N(c3ccc(C(F)(F)F)cc3)CCN2C)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
FPR2 P25090 1/20 0.39
TRPV4 Q9HBA0 1/20 0.38
HRH4 Q9H3N8 1/20 0.37
SRPK1 Q96SB4 1/20 0.37
HTR1A P08908 2/20 0.37
HTR2A P28223 2/20 0.37
HTR6 P50406 2/20 0.37
DRD2 P14416 1/20 0.37
HTR7 P34969 1/20 0.37
ADRA2C P18825 1/20 0.36
SCN9A Q15858 1/20 0.36
SLC6A2 P23975 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
HTR2C P28335 1/20 0.36
NR1H3 Q13133 1/20 0.36
HSD11B1 P28845 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL5606661 1.00 KMT2A (0.43) KMT2AMEN1FPR2TRPV4HRH4
SCHEMBL5606437 0.86 MEN1 (0.45) KMT2AMEN1HTR1AHTR2ADRD2
SCHEMBL5606438 0.86 MEN1 (0.45) KMT2AMEN1HTR1AHTR2ADRD2
SCHEMBL6430991 0.85 MEN1 (0.43) KMT2AMEN1FPR2TRPV4HRH4
SCHEMBL6694235 0.85 MEN1 (0.43) KMT2AMEN1FPR2TRPV4HRH4
SCHEMBL6430994 0.85 MEN1 (0.43) KMT2AMEN1FPR2TRPV4HRH4
SCHEMBL5613736 0.83 MEN1 (0.41) KMT2AMEN1FPR2TRPV4HRH4
SCHEMBL5613738 0.83 MEN1 (0.41) KMT2AMEN1FPR2TRPV4HRH4
SCHEMBL5158286 0.82 HTR1A (0.49) KMT2AMEN1FPR2TRPV4HRH4
SCHEMBL5158294 0.82 HTR1A (0.49) KMT2AMEN1FPR2TRPV4HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-6894062-B1 Quinoline derivatives PFIZER INC. (US) 2005-05-17 US 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
US-20020091117-A1 ARALKYL AND ARALKYLIDENE HETEROCYCLIC LACTAMS AND IMIDES PFIZER INC. 2002-07-11 US disclosed
US-20020091118-A1 ARALKYL AND ARALKYLIDENE HETEROCYCLIC LACTAMS AND IMIDES PFIZER INC. 2002-07-11 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

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

For each of this compound's patents that has machine-readable text (6 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 KMT2A 1683/4885MEN1 863/4885FPR2 835/4885
US-20020049214-A1 Aralkyl and aralkylidene heterocyclic lactams and imides MRPL21, ARAF, ARL1 KMT2A 1959/4885MEN1 698/4885FPR2 887/4885
US-20060052373-A1 Combination of dopamine agonists and aralkyl and aralkylidene heterocyclic lactams and imides DRD2, OPRL1, SLC6A3 KMT2A 3059/4885MEN1 2166/4885FPR2 2878/4885
US-20020049211-A1 Combination treatment for depression and anxiety HTR1A, HTR1D, HTR5A KMT2A 913/4885MEN1 1555/4885FPR2 1246/4885
US-20020072519-A1 Aralkyl and aralkylidene heterocyclic lactams and imides MRPL21, ARAF, ARL1 KMT2A 1683/4885MEN1 863/4885FPR2 835/4885
US-20020091117-A1 ARALKYL AND ARALKYLIDENE HETEROCYCLIC LACTAMS AND IMIDES MRPL21, ARAF, ARL1 KMT2A 1683/4885MEN1 863/4885FPR2 835/4885

“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.