SCHEMBL2117704

SCHEMBL2117704

CCOC(=O)C(=O)C(C)C(=O)c1ccc(Br)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.49
MAPT P10636 4/20 0.49
MEN1 O00255 3/20 0.49
S1PR4 O95977 1/20 0.49
LMNA P02545 1/20 0.49
S1PR1 P21453 1/20 0.49
MAPK1 P28482 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
GAA P10253 2/20 0.44
KDM4E B2RXH2 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 4/20 0.43
HPGD P15428 2/20 0.43
KYAT1 Q16773 1/20 0.41
NHERF1 O14745 1/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
CES2 O00748 1/20 0.39

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
SCHEMBL7434768 0.85 MAPT (0.46) KMT2AMAPTMEN1S1PR4LMNA
SCHEMBL277081 0.84 SMN1; SMN2 (0.48) MAPTLMNAGAATDP1ALDH1A1
SCHEMBL2858714 0.84 MAPT (0.49) KMT2AMAPTMEN1LMNAMAPK1
SCHEMBL1741190 0.84 ALDH1A1 (0.53) KMT2AMAPTMEN1LMNAALDH1A1
SCHEMBL2200457 0.84 CHRNA1 (0.47) MAPTLMNAMAPK1NPSR1KDM4E
SCHEMBL4800700 0.83 SMN1; SMN2 (0.47) MAPTLMNAGAATDP1ALDH1A1
SCHEMBL2853000 0.83 KMT2A (0.48) KMT2AMAPTMEN1S1PR4LMNA
SCHEMBL2852255 0.83 HDAC3 (0.48) MAPTLMNATDP1ALDH1A1SLC6A2
SCHEMBL14346527 0.82 CA12 (0.36) KMT2AMAPTMEN1LMNAGAA
SCHEMBL16883572 0.81 KMT2A (0.43) KMT2AMAPTMEN1LMNANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8410097-B2 Heteropyrrole analogs acting on cannabinoid receptors UNIVERSITY OF CONNECTICUT (US) 2013-04-02 US disclosed
US-8410097-B2 Heteropyrrole analogs acting on cannabinoid receptors UNIVERSITY OF CONNECTICUT (US) 2013-04-02 US disclosed
US-8410097-B2 Heteropyrrole analogs acting on cannabinoid receptors UNIVERSITY OF CONNECTICUT (US) 2013-04-02 US disclosed
US-8354442-B2 Imidazol-4-one and imidazole-4-thione compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2013-01-15 US disclosed
US-20120095047-A1 Novel Heteropyrrole Analogs Acting on Cannabinoid Receptors UNIVERSITY OF CONNECTICUT (US) 2012-04-19 US disclosed
US-20120095047-A1 Novel Heteropyrrole Analogs Acting on Cannabinoid Receptors UNIVERSITY OF CONNECTICUT (US) 2012-04-19 US disclosed
US-20120095047-A1 Novel Heteropyrrole Analogs Acting on Cannabinoid Receptors UNIVERSITY OF CONNECTICUT (US) 2012-04-19 US disclosed
US-8084467-B2 For both CB1 and CB2 receptor sites; 3-(N-hetero)amido-5-phenyl pyrazoles; memory deficits associated with aging or nervous system disorders, obesity, schizophrenia, septic shock UNIVERSITY OF CONNECTICUT (US) 2011-12-27 US disclosed
US-8084467-B2 For both CB1 and CB2 receptor sites; 3-(N-hetero)amido-5-phenyl pyrazoles; memory deficits associated with aging or nervous system disorders, obesity, schizophrenia, septic shock UNIVERSITY OF CONNECTICUT (US) 2011-12-27 US disclosed
US-8084467-B2 For both CB1 and CB2 receptor sites; 3-(N-hetero)amido-5-phenyl pyrazoles; memory deficits associated with aging or nervous system disorders, obesity, schizophrenia, septic shock UNIVERSITY OF CONNECTICUT (US) 2011-12-27 US disclosed
US-7393842-B2 Pyrazole analogs acting on cannabinoid receptors UNIVERSITY OF CONNECTICUT (US) 2008-07-01 US disclosed
EP-1845972-A2 NOVEL HETEROPYRROLE ANALOGS ACTING ON CANNABINIOD RECEPTORS University of Connecticut (US) 2007-10-24 EP disclosed
WO-2006074445-A2 NOVEL HETEROPYRROLE ANALOGS ACTING ON CANNABINIOD RECEPTORS MAKRIYANNIS ALEXANDROS (US) 2006-07-13 WO disclosed
US-20060100208-A1 Pyrazole derivatives as cannabinoid receptor antagonists UNIVERSITY OF CONNECTICUT 2006-05-11 US disclosed
US-20060030563-A1 Novel pyrazole analogs acting on cannabinoid receptors UNIVERSITY OF CONNECTICUT 2006-02-09 US disclosed
EP-1571147-A2 Pyrazole analogs acting on cannabinoid receptors The University of Connecticut (US) 2005-09-07 EP disclosed
EP-1421077-A4 NOVEL PYRAZOLE ANALOGS ACTING ON CANNABINOID RECEPTORS UNIV CONNECTICUT (US) 2004-11-17 EP disclosed
US-20040192667-A1 Novel pyrazole analogs acting on cannabinoid receptors UNIVERSITY OF CONNECTICUT 2004-09-30 US disclosed
EP-1421077-A2 NOVEL PYRAZOLE ANALOGS ACTING ON CANNABINOID RECEPTORS THE UNIVERSITY OF CONNECTICUT (US) 2004-05-26 EP disclosed
WO-2003020217-A2 NOVEL PYRAZOLE ANALOGS ACTING ON CANNABINOID RECEPTORS UNIVERSITY OF CONNECTICUT (US) 2003-03-13 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 (4 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-20040192667-A1 Novel pyrazole analogs acting on cannabinoid receptors CNR1, CNR2, P2RY1 KMT2A 3405/4885MAPT 2878/4885MEN1 3423/4885
US-20120095047-A1 Novel Heteropyrrole Analogs Acting on Cannabinoid Receptors CNR2, CNR1, GPR18 KMT2A 4192/4885MAPT 4082/4885MEN1 4465/4885
US-20060030563-A1 Novel pyrazole analogs acting on cannabinoid receptors CNR1, CNR2, P2RY1 KMT2A 3405/4885MAPT 2878/4885MEN1 3423/4885
US-20060100208-A1 Pyrazole derivatives as cannabinoid receptor antagonists CNR1, CNR2, P2RY1 KMT2A 3566/4885MAPT 3162/4885MEN1 3453/4885

“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.