SCHEMBL12840805

SCHEMBL12840805

CN1Cc2cnc(C3CC3)nc2C1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.43
DPP7 Q9UHL4 2/20 0.43
FAP Q12884 1/20 0.43
DPP8 Q6V1X1 1/20 0.43
DPP9 Q86TI2 1/20 0.43
PDE10A Q9Y233 1/20 0.36
HDAC9 Q9UKV0 4/20 0.34
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32

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
SCHEMBL24922034 0.87 DPP4 (0.37) DPP4DPP7FAPDPP8DPP9
SCHEMBL13093365 0.80 DPP4 (0.42) DPP4DPP7FAPDPP8DPP9
SCHEMBL12769063 0.80 DPP4 (0.40) DPP4DPP7FAPDPP8DPP9
SCHEMBL13104658 0.80 DPP4 (0.40) DPP4DPP7FAPDPP8DPP9
SCHEMBL8203769 0.73 DPP4 (0.47) DPP4FAPDPP8
SCHEMBL10280068 0.73 HSP90AA1 (0.43) PDE10A
SCHEMBL16644224 0.72 HRH4 (0.47)
SCHEMBL16474030 0.72 SMN1; SMN2 (0.45)
SCHEMBL12840834 0.70 DPP4 (0.42) DPP4DPP7FAPDPP8DPP9
SCHEMBL17624119 0.69 HSP90AA1 (0.40)

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170305922-A1 CARM1 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-10-26 US disclosed
WO-2016044604-A1 CARM1 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2016-03-24 WO disclosed
US-8980929-B2 Substituted seven-membered heterocyclic compounds as dipeptidyl peptidase-iv inhibitors for the treatment of diabetes MERCK SHARP & DOHME CORP. (US) 2015-03-17 US disclosed
US-8853212-B2 Substituted aminotetrahydrothiopyrans and derivatives thereof as dipeptidyl peptidase-IV inhibitors for the treatment of diabetes MERCK SHARP & DOHME CORP (US) 2014-10-07 US disclosed
US-20130203786-A1 SUBSTITUTED SEVEN-MEMBERED HETEROCYCLIC COMPOUNDS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OF DIABETES MERCK SHARP & DOHME LLC 2013-08-08 US disclosed
US-8247401-B2 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2012-08-21 US disclosed
US-7910596-B2 Aminotetrahydropyrans as dipeptidyl peptidase-IV inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME CORP. (US) 2011-03-22 US disclosed
US-20100234403-A1 Aminotetrahydropyrans as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes MERCK & CO., INC. 2010-09-16 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-20170305922-A1 CARM1 INHIBITORS AND USES THEREOF CARM1, ADRM1, PRMT1 DPP4 4608/4885DPP7 4451/4885FAP 2868/4885
US-20130203786-A1 SUBSTITUTED SEVEN-MEMBERED HETEROCYCLIC COMPOUNDS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OF DIABETES DPP4, DPP7, DPP3 DPP4 1/4885DPP7 2/4885FAP 26/4885
US-20100234403-A1 Aminotetrahydropyrans as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes DPP4, DPP3, DPP7 DPP4 1/4885DPP7 3/4885FAP 26/4885

“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.