SCHEMBL1449032

SCHEMBL1449032

CC([O])N1CCNCC1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.34
HTR2C P28335 3/20 0.34
HTR2B P41595 3/20 0.34
DPP4 P27487 1/20 0.32
KCNH2 Q12809 1/20 0.32
PLD1 Q13393 1/20 0.31
GSK3B P49841 2/20 0.31
PRKD3 O94806 2/20 0.31
PRKCG P05129 2/20 0.31
PRKCB P05771 2/20 0.31
PRKCA P17252 2/20 0.31
PRKACA P17612 2/20 0.31
PRKACG P22612 2/20 0.31
PRKACB P22694 2/20 0.31
PRKCH P24723 2/20 0.31
PRKCI P41743 2/20 0.31
PRKCE Q02156 2/20 0.31
PRKCQ Q04759 2/20 0.31
PRKCZ Q05513 2/20 0.31
PRKCD Q05655 2/20 0.31

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
SCHEMBL12339302 0.83 DPP4 (0.31) DPP4KCNH2
SCHEMBL16109047 0.83 DPP4 (0.31) DPP4KCNH2
SCHEMBL1118894 0.83 DPP4 (0.31) DPP4KCNH2
Hydrochloric Acid SCHEMBL2848909 0.81 L3MBTL1 (0.33) DPP4PRKD3PRKCGPRKCBPRKCA
Hydrochloric Acid SCHEMBL3857650 0.81 L3MBTL1 (0.33) DPP4PRKD3PRKCGPRKCBPRKCA
Hydrochloric Acid SCHEMBL2848912 0.81 L3MBTL1 (0.33) DPP4PRKD3PRKCGPRKCBPRKCA
Hydrochloric Acid SCHEMBL2852782 0.81 L3MBTL1 (0.33) DPP4PRKD3PRKCGPRKCBPRKCA
Hydrochloric Acid SCHEMBL2852784 0.81 L3MBTL1 (0.33) DPP4PRKD3PRKCGPRKCBPRKCA
SCHEMBL27841744 0.80 DPP4 (0.39) HTR2CDPP4PLD1
SCHEMBL27841751 0.80 DPP4 (0.39) HTR2CDPP4PLD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120225869-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2012-09-06 US claimed
EP-1784399-B1 PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2011-06-15 EP claimed
JP-4674236-B2 2011-04-20 JP claimed
US-7910585-B2 Pyrimidine derivatives NOVARTIS AG (CH) 2011-03-22 US claimed
US-20090247517-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2009-10-01 US claimed
US-20080293708-A1 Pyrimidine Derivatives NOVARTIS AG (CH) 2008-11-27 US claimed
JP-2008510765-A 2008-04-10 JP claimed
EP-1807429-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM, LLC (BM) 2007-07-18 EP claimed
EP-1784399-A2 PYRIMIDINE DERIVATIVES Novartis AG (CH) 2007-05-16 EP claimed
WO-2006047516-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2006-05-04 WO claimed
WO-2006021457-A2 PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2006-03-02 WO claimed
US-20120225869-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2012-09-06 US disclosed
US-8158634-B2 Compounds and compositions as inhibitors of cannabinoid receptor 1 activity IRM LLC (BM) 2012-04-17 US disclosed
EP-1784399-B1 PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2011-06-15 EP disclosed
US-7910585-B2 Pyrimidine derivatives NOVARTIS AG (CH) 2011-03-22 US disclosed
US-5658914-A ANTIESTROGENS, ANTITUMOR AGENTS RESEARCH CORPORATION TECHNOLOGIES (US) 1997-08-19 US disclosed
US-5658951-A ANTIESTROGENS, ANTITUMOR AGENTS RESEARCH CORPORATION TECHNOLOGIES (US) 1997-08-19 US disclosed
US-5422367-A A hormon inhibitors and for inhibiting the development of an estrogen-dependent tumor RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1995-06-06 US disclosed
US-5324736-A Diphenylcyclopropyl analogs as antiestrogenic and antitumor agents RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1994-06-28 US disclosed
US-5098903-A Halocyclopropanes BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA (US) 1992-03-24 US 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 (3 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-20080293708-A1 Pyrimidine Derivatives DPYD, TYMP, TYMS HTR2A 2876/4885HTR2C 2779/4885HTR2B 2132/4885
US-20120225869-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH HTR2A 361/4885HTR2C 189/4885HTR2B 454/4885
US-20090247517-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH HTR2A 361/4885HTR2C 189/4885HTR2B 454/4885

“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.