SCHEMBL5606901

SCHEMBL5606901

CN1CCN(c2ccccc2C=C2NC(=O)N(c3ccc(Cl)cc3)C2=O)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 10/20 0.49
KMT2A Q03164 10/20 0.49
MAPT P10636 12/20 0.48
KDM4E B2RXH2 6/20 0.48
ALDH1A1 P00352 10/20 0.47
ALOX12 P18054 2/20 0.47
GAA P10253 4/20 0.47
POLB P06746 2/20 0.47
HTT P42858 3/20 0.46
ITGA4 P13612 1/20 0.46
ITGB7 P26010 1/20 0.46
RAB9A P51151 5/20 0.41
LMNA P02545 4/20 0.41
NPC1 O15118 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
RECQL P46063 2/20 0.41
MAPK1 P28482 2/20 0.41
PKM P14618 4/20 0.40
BCL2A1 Q16548 1/20 0.40
USP2 O75604 2/20 0.40

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
SCHEMBL5606898 1.00 MEN1 (0.49) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL5606562 0.83 ALDH1A1 (0.56) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL5606560 0.83 ALDH1A1 (0.56) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL5606207 0.82 MEN1 (0.47) MEN1KMT2AMAPTALDH1A1ALOX12
SCHEMBL5606206 0.82 MEN1 (0.47) MEN1KMT2AMAPTALDH1A1ALOX12
SCHEMBL5606338 0.81 KMT2A (0.46) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL5606347 0.81 KMT2A (0.46) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL5605938 0.79 IKBKB (0.49) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL5605941 0.79 IKBKB (0.49) MEN1KMT2AMAPTKDM4EALDH1A1
Hydrochloric Acid SCHEMBL6294376 0.78 IKBKB (0.48) MEN1KMT2AMAPTKDM4EALDH1A1

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 43 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-6921760-B2 Aralkyl and aralkylidene heterocyclic lactams and imides PFIZER INC. (US) 2005-07-26 US claimed
EP-0929528-B1 ARALKYL AND ARALKYLIDENE HETEROCYCLIC LACTAMS AND IMIDES PFIZER (US) 2003-07-23 EP claimed
US-20020147194-A1 Aralkyl and aralkylidene heterocyclic lactams and imides PFIZER INC. 2002-10-10 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-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
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
US-20020049211-A1 Combination treatment for depression and anxiety SOBOLOV-JAYNES SUSAN BETH (US) 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 (8 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 MEN1 863/4885KMT2A 1683/4885MAPT 2995/4885
US-20020091119-A1 Aralkyl and aralkylidene heterocyclic lactams and imides MRPL21, ARAF, ARL1 MEN1 863/4885KMT2A 1683/4885MAPT 2995/4885
US-20020147194-A1 Aralkyl and aralkylidene heterocyclic lactams and imides MRPL21, ARAF, ARL1 MEN1 863/4885KMT2A 1683/4885MAPT 2995/4885
US-20020049214-A1 Aralkyl and aralkylidene heterocyclic lactams and imides MRPL21, ARAF, ARL1 MEN1 698/4885KMT2A 1959/4885MAPT 2671/4885
US-20060052373-A1 Combination of dopamine agonists and aralkyl and aralkylidene heterocyclic lactams and imides DRD2, OPRL1, SLC6A3 MEN1 2166/4885KMT2A 3059/4885MAPT 2035/4885
US-20020049211-A1 Combination treatment for depression and anxiety HTR1A, HTR1D, HTR5A MEN1 1555/4885KMT2A 913/4885MAPT 1996/4885
US-20020072519-A1 Aralkyl and aralkylidene heterocyclic lactams and imides MRPL21, ARAF, ARL1 MEN1 863/4885KMT2A 1683/4885MAPT 2995/4885
US-20020091117-A1 ARALKYL AND ARALKYLIDENE HETEROCYCLIC LACTAMS AND IMIDES MRPL21, ARAF, ARL1 MEN1 863/4885KMT2A 1683/4885MAPT 2995/4885

“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.