SCHEMBL5606098

SCHEMBL5606098

CN1CCN(c2ccccc2/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)CC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 2/20 0.49
PPARG P37231 4/20 0.48
LMNA P02545 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
PTPN1 P18031 1/20 0.47
HTT P42858 1/20 0.46
MAPT P10636 3/20 0.44
ALOX5 P09917 1/20 0.44
POLB P06746 1/20 0.44
UBE2N P61088 1/20 0.44
ENPP2 Q13822 1/20 0.44
HPGD P15428 2/20 0.43
NPBWR1 P48145 1/20 0.43
MCHR1 Q99705 1/20 0.43
TP53 P04637 1/20 0.43
MAPK1 P28482 1/20 0.43
AMY1A P0DUB6 1/20 0.43

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
SCHEMBL5606100 1.00 ALDH1A1 (0.49) ALDH1A1KDM4EPPARGLMNAMEN1
Hydrochloric Acid SCHEMBL6297740 0.98 ALDH1A1 (0.48) ALDH1A1KDM4EPPARGLMNAMEN1
Hydrochloric Acid SCHEMBL6297741 0.98 ALDH1A1 (0.48) ALDH1A1KDM4EPPARGLMNAMEN1
SCHEMBL5605941 0.83 IKBKB (0.49) ALDH1A1KDM4EMEN1KMT2AHTT
SCHEMBL5605938 0.83 IKBKB (0.49) ALDH1A1KDM4EMEN1KMT2AHTT
Hydrochloric Acid SCHEMBL6294377 0.81 IKBKB (0.48) ALDH1A1KDM4EMEN1KMT2AHTT
Hydrochloric Acid SCHEMBL6294375 0.81 IKBKB (0.48) ALDH1A1KDM4EMEN1KMT2AHTT
Hydrochloric Acid SCHEMBL6294376 0.81 IKBKB (0.48) ALDH1A1KDM4EMEN1KMT2AHTT
SCHEMBL5606560 0.80 ALDH1A1 (0.56) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL5606562 0.80 ALDH1A1 (0.56) ALDH1A1KDM4ELMNAMEN1KMT2A

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 38 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
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
EP-1562908-A1 QUINOLINE DERIVATIVES Pfizer Products Inc. (US) 2005-08-17 EP 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 (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 ALDH1A1 1607/4885KDM4E 1500/4885PPARG 3857/4885
US-20020091119-A1 Aralkyl and aralkylidene heterocyclic lactams and imides MRPL21, ARAF, ARL1 ALDH1A1 1607/4885KDM4E 1500/4885PPARG 3857/4885
US-20020147194-A1 Aralkyl and aralkylidene heterocyclic lactams and imides MRPL21, ARAF, ARL1 ALDH1A1 1607/4885KDM4E 1500/4885PPARG 3857/4885
US-20020049214-A1 Aralkyl and aralkylidene heterocyclic lactams and imides MRPL21, ARAF, ARL1 ALDH1A1 1434/4885KDM4E 1876/4885PPARG 3760/4885
US-20060052373-A1 Combination of dopamine agonists and aralkyl and aralkylidene heterocyclic lactams and imides DRD2, OPRL1, SLC6A3 ALDH1A1 1049/4885KDM4E 2932/4885PPARG 2259/4885
US-20020049211-A1 Combination treatment for depression and anxiety HTR1A, HTR1D, HTR5A ALDH1A1 534/4885KDM4E 2074/4885PPARG 2601/4885
US-20020072519-A1 Aralkyl and aralkylidene heterocyclic lactams and imides MRPL21, ARAF, ARL1 ALDH1A1 1607/4885KDM4E 1500/4885PPARG 3857/4885
US-20020091117-A1 ARALKYL AND ARALKYLIDENE HETEROCYCLIC LACTAMS AND IMIDES MRPL21, ARAF, ARL1 ALDH1A1 1607/4885KDM4E 1500/4885PPARG 3857/4885

“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.