SCHEMBL5605941

SCHEMBL5605941

CN1CCN(c2ccccc2C=C2SC(=O)N(c3ccc(Cl)cc3)C2=O)CC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 5/20 0.49
MAPT P10636 5/20 0.46
ALDH1A1 P00352 5/20 0.46
ALOX12 P18054 1/20 0.46
KMT2A Q03164 11/20 0.46
MEN1 O00255 10/20 0.46
NPC1 O15118 9/20 0.46
RAB9A P51151 9/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
MAPK1 P28482 1/20 0.45
KDM4E B2RXH2 3/20 0.41
POLB P06746 2/20 0.41
PIM1 P11309 1/20 0.41
PIM3 Q86V86 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
HTT P42858 2/20 0.41
DUSP3 P51452 1/20 0.40
MCL1 Q07820 1/20 0.40
L3MBTL1 Q9Y468 1/20 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
SCHEMBL5605938 1.00 IKBKB (0.49) IKBKBMAPTALDH1A1ALOX12KMT2A
Hydrochloric Acid SCHEMBL6294376 0.98 IKBKB (0.48) IKBKBMAPTALDH1A1ALOX12KMT2A
Hydrochloric Acid SCHEMBL6294375 0.98 IKBKB (0.48) IKBKBMAPTALDH1A1ALOX12KMT2A
Hydrochloric Acid SCHEMBL6294377 0.98 IKBKB (0.48) IKBKBMAPTALDH1A1ALOX12KMT2A
SCHEMBL5606399 0.86 CFTR (0.48) IKBKBMAPTALDH1A1KMT2AMEN1
SCHEMBL5606406 0.86 CFTR (0.48) IKBKBMAPTALDH1A1KMT2AMEN1
Hydrochloric Acid SCHEMBL6294354 0.85 CFTR (0.47) IKBKBMAPTALDH1A1KMT2AMEN1
Hydrochloric Acid SCHEMBL6294356 0.85 CFTR (0.47) IKBKBMAPTALDH1A1KMT2AMEN1
SCHEMBL5606098 0.83 ALDH1A1 (0.49) MAPTALDH1A1KMT2AMEN1MAPK1
SCHEMBL5606100 0.83 ALDH1A1 (0.49) MAPTALDH1A1KMT2AMEN1MAPK1

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 42 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-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-6403592-B1 SEROTONIN REUPTAKE INHIBITORS PFIZER INC 2002-06-11 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-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-1592772-A2 5HT7 ANTAGONISTS AND INVERSE AGONISTS Pfizer Products Incorporated (US) 2005-11-09 EP 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 IKBKB 2319/4885MAPT 2995/4885ALDH1A1 1607/4885
US-20020091119-A1 Aralkyl and aralkylidene heterocyclic lactams and imides MRPL21, ARAF, ARL1 IKBKB 2319/4885MAPT 2995/4885ALDH1A1 1607/4885
US-20020147194-A1 Aralkyl and aralkylidene heterocyclic lactams and imides MRPL21, ARAF, ARL1 IKBKB 2319/4885MAPT 2995/4885ALDH1A1 1607/4885
US-20020049214-A1 Aralkyl and aralkylidene heterocyclic lactams and imides MRPL21, ARAF, ARL1 IKBKB 2163/4885MAPT 2671/4885ALDH1A1 1434/4885
US-20060052373-A1 Combination of dopamine agonists and aralkyl and aralkylidene heterocyclic lactams and imides DRD2, OPRL1, SLC6A3 IKBKB 3374/4885MAPT 2035/4885ALDH1A1 1049/4885
US-20020049211-A1 Combination treatment for depression and anxiety HTR1A, HTR1D, HTR5A IKBKB 1732/4885MAPT 1996/4885ALDH1A1 534/4885
US-20020072519-A1 Aralkyl and aralkylidene heterocyclic lactams and imides MRPL21, ARAF, ARL1 IKBKB 2319/4885MAPT 2995/4885ALDH1A1 1607/4885
US-20020091117-A1 ARALKYL AND ARALKYLIDENE HETEROCYCLIC LACTAMS AND IMIDES MRPL21, ARAF, ARL1 IKBKB 2319/4885MAPT 2995/4885ALDH1A1 1607/4885

“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.