SCHEMBL3890295

SCHEMBL3890295

CC1(C)COC(c2cccs2)=N1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.53
MAPT P10636 3/20 0.42
HPGD P15428 2/20 0.41
ALOX5 P09917 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
HTT P42858 2/20 0.37
ALDH1A1 P00352 2/20 0.37
ATM Q13315 1/20 0.37
RPS6KB2 Q9UBS0 2/20 0.37
LPL P06858 1/20 0.37
LIPG Q9Y5X9 1/20 0.37
LMNA P02545 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HRH3 Q9Y5N1 2/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL16459658 0.80 HPGD (0.39) KDM4EMAPTHPGDALOX5PTGS1
SCHEMBL29616919 0.72 KDM4E (0.61) KDM4EMAPTHPGDHTTALDH1A1
SCHEMBL18380643 0.72 KDM4E (0.61) KDM4EMAPTHPGDHTTALDH1A1
SCHEMBL471858 0.71 KDM4E (0.60) KDM4EMAPTHPGDHTTALDH1A1
SCHEMBL9791116 0.71 KDM4E (0.44) KDM4EMAPTHPGDHTTALDH1A1
SCHEMBL14244191 0.70 KDM4E (0.78) KDM4EMAPTHPGDHTTALDH1A1
Hydrochloric Acid SCHEMBL11553058 0.69 KDM4E (0.58) KDM4EMAPTHPGDHTTALDH1A1
SCHEMBL8855987 0.69 KDM4E (0.58) KDM4EMAPTHPGDHTTALDH1A1
SCHEMBL471881 0.69 KDM4E (0.62) KDM4EMAPTHPGDHTTLMNA
SCHEMBL8855999 0.69 KDM4E (1.00) KDM4EMAPTHPGDHTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318938-B2 Trans-fused chromenoisoquinolines synthesis and methods for use PURDUE RESEARCH FOUNDATION (US) 2012-11-27 US disclosed
US-8318938-B2 Trans-fused chromenoisoquinolines synthesis and methods for use PURDUE RESEARCH FOUNDATION (US) 2012-11-27 US disclosed
US-8076330-B2 Dipeptidyl peptidase-IV inhibitors AMGEN INC. (US) 2011-12-13 US disclosed
US-8076330-B2 Dipeptidyl peptidase-IV inhibitors AMGEN INC. (US) 2011-12-13 US disclosed
US-20110112051-A1 Dipeptidyl Peptidase-IV Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2011-05-12 US disclosed
US-20110112051-A1 Dipeptidyl Peptidase-IV Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2011-05-12 US disclosed
US-20100009961-A1 DIPEPTIDYL PEPTIDASE-IV INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2010-01-14 US disclosed
US-20100009961-A1 DIPEPTIDYL PEPTIDASE-IV INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2010-01-14 US disclosed
US-7553861-B2 Dipeptidyl peptidase-IV inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-06-30 US disclosed
US-7553861-B2 Dipeptidyl peptidase-IV inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-06-30 US disclosed
EP-0804420-A1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS American Cyanamid Company (US) 1997-11-05 EP disclosed
US-5594152-A Process for the preparation of tricyclic-heterocycles AMERICAN CYANAMID COMPANY (US) 1997-01-14 US disclosed
WO-1996022292-A1 TRICYCLIC VASOPRESSIN ANTAGONISTS AMERICAN CYANAMID COMPANY (US) 1996-07-25 WO disclosed
WO-1996022282-A1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS AMERICAN CYANAMID COMPANY (US) 1996-07-25 WO disclosed
US-5521173-A TREATING DISEASES CHARACTERIZED BY EXCESS RENAL REABSORPTION OF WATER AMERICAN HOME PRODUCTS CORPORATION (US) 1996-05-28 US disclosed
US-5512563-A TREATING DISEASES CAUSED BY EXCESS RENAL REABSORPTION OF WATER AMERICAN CYANAMID COMPANY (US) 1996-04-30 US disclosed
CN-1106802-A Tricyclic benzazepines (aza *) vasopressin antagonists AMERICAN CYANAMID CO (US) 1995-08-16 CN disclosed
US-5436333-A Process for the preparation of tricyclic-heterocycles AMERICAN CYANAMID COMPANY (US) 1995-07-25 US disclosed
EP-0640592-A1 N-acylated tricyclic azaheterorings useful as vasopressin antagonists AMERICAN CYANAMID COMPANY (US) 1995-03-01 EP disclosed
EP-0355710-A2 Phenylalkylthiophenes and related compounds MERRELL DOW PHARMACEUTICALS INC. (US) 1990-02-28 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 (2 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-20100009961-A1 DIPEPTIDYL PEPTIDASE-IV INHIBITORS DPP4, DPP3, DPP7 KDM4E 465/4885MAPT 3665/4885HPGD 1513/4885
US-20110112051-A1 Dipeptidyl Peptidase-IV Inhibitors DPP4, DPP3, DPP7 KDM4E 465/4885MAPT 3665/4885HPGD 1513/4885

“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.