SCHEMBL8400464

SCHEMBL8400464

CC#CCn1c(N2CCC[C@@H](C)C2)nc2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)n2C

nearest known ligand 0.84

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 19/20 0.84
FAP Q12884 6/20 0.84
CHRM1 P11229 2/20 0.84
POU2F2 P09086 1/20 0.84
ADORA3 P0DMS8 1/20 0.84
POU2F1 P14859 1/20 0.84
CHRM3 P20309 1/20 0.84
HRH2 P25021 1/20 0.84
MC4R P32245 1/20 0.84
DPP8 Q6V1X1 1/20 0.84
DPP9 Q86TI2 1/20 0.84
GHSR Q92847 1/20 0.84
KCNH2 Q12809 1/20 0.61

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
SCHEMBL17124942 1.00 DPP4 (0.84) DPP4FAPCHRM1POU2F2ADORA3
SCHEMBL18624007 1.00 DPP4 (0.84) DPP4FAPCHRM1POU2F2ADORA3
SCHEMBL12601330 0.92 DPP4 (0.72) DPP4FAPCHRM1POU2F2ADORA3
Linagliptin SCHEMBL28983978 0.92 DPP4 (1.00) DPP4FAPCHRM1POU2F2ADORA3
Linagliptin SCHEMBL160188 0.92 DPP4 (1.00) DPP4FAPCHRM1POU2F2ADORA3
Linagliptin SCHEMBL17124941 0.92 DPP4 (1.00) DPP4FAPCHRM1POU2F2ADORA3
Linagliptin SCHEMBL195962 0.92 DPP4 (1.00) DPP4FAPCHRM1POU2F2ADORA3
Linagliptin SCHEMBL637238 0.92 DPP4 (1.00) DPP4FAPCHRM1POU2F2ADORA3
Linagliptin SCHEMBL29359185 0.92 DPP4 (1.00) DPP4FAPCHRM1POU2F2ADORA3
Linagliptin SCHEMBL16467827 0.91 DPP4 (0.98) DPP4FAPCHRM1POU2F2ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180185291-A1 PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INT (DE) 2018-07-05 US disclosed
US-20170095424-A1 PHARMACEUTICAL COMPOSITION AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2017-04-06 US disclosed
US-20170073345-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DIABETES AND PRE-DIABETES ALAPATI MOHAN MURALI (IN) 2017-03-16 US disclosed
US-9555001-B2 Pharmaceutical composition and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-01-31 US disclosed
US-9522915-B2 Method for preparing an important intermediate of linagliptin 2Y-CHEM, LTD. (CN) 2016-12-20 US disclosed
US-20160235680-A1 PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INT (DE) 2016-08-18 US disclosed
US-9212183-B2 Salt forms of 1-[(4-methyl-quinazolin-2-yl)methyl]-3-methyl-7-(2-butyn-1-yl)-8-(3-(R)-amino-piperidin-1-yl)-xanthine BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-12-15 US disclosed
US-20150274728-A1 METHOD FOR PREPARING AN IMPORTANT INTERMEDIATE OF LINAGLIPTIN 2Y-CHEM, LTD. (CN) 2015-10-01 US disclosed
US-9056112-B2 Process for preparation of pure linagliptin DR. REDDY'S LABORATORIES LIMITED (IN) 2015-06-16 US disclosed
US-8865729-B2 Salt forms of a xanthine compound BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-10-21 US disclosed
US-20140303194-A1 SALT FORMS OF ORGANIC COMPOUND BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-10-09 US disclosed
US-20140066369-A1 Modulators Of The GPR119 Receptor And The Treatment Of Disorders Related Thereto ARENA PHARMACEUTICALS, INC. (US) 2014-03-06 US disclosed
US-20140051714-A1 Modulators Of The GPR119 Receptor And The Treatment Of Disorders Related Thereto ARENA PHARMACEUTICALS, INC. (US) 2014-02-20 US disclosed
US-20140051629-A1 MODULATORS OF THE GPR119 RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2014-02-20 US disclosed
US-20140038889-A1 Modulators Of The GPR119 Receptor And The Treatment Of Disorders Related Thereto ARENA PHARMACEUTICALS, INC. (US) 2014-02-06 US disclosed
US-20140018371-A1 Modulators Of The GPR119 Receptor And The Treatment Of Disorders Related Thereto ARENA PHARMACEUTICALS, INC. (US) 2014-01-16 US disclosed
US-20130236543-A1 PHARMACEUTICAL COMPOSITION AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-09-12 US disclosed
US-20130023494-A1 MODULATORS OF THE GPR119 RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2013-01-24 US disclosed
US-20120129874-A1 SALT FORMS OF ORGANIC COMPOUND BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-24 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 (14 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-20140038889-A1 Modulators Of The GPR119 Receptor And The Treatment Of Disorders Related Thereto GPR119, GLP1R, DPP4 DPP4 3/4885FAP 365/4885CHRM1 2708/4885
US-20130023494-A1 MODULATORS OF THE GPR119 RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO GPR119, SLC5A2, SLC5A1 DPP4 10/4885FAP 882/4885CHRM1 2943/4885
US-20170073345-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DIABETES AND PRE-DIABETES DPP4, SLC5A1, SLC5A2 DPP4 1/4885FAP 127/4885CHRM1 2286/4885
US-20140303194-A1 SALT FORMS OF ORGANIC COMPOUND DPP4, DPP7, DPP3 DPP4 1/4885FAP 484/4885CHRM1 4544/4885
US-20160235680-A1 PHARMACEUTICAL COMPOSITIONS DPP4, SLC5A2, SLC5A1 DPP4 1/4885FAP 143/4885CHRM1 4038/4885
US-20150274728-A1 METHOD FOR PREPARING AN IMPORTANT INTERMEDIATE OF LINAGLIPTIN DPP4, DPP9, DPP3 DPP4 1/4885FAP 19/4885CHRM1 4661/4885
US-20130236543-A1 PHARMACEUTICAL COMPOSITION AND USES THEREOF DPP4, SLC5A2, SLC5A1 DPP4 1/4885FAP 87/4885CHRM1 3761/4885
US-20140051629-A1 MODULATORS OF THE GPR119 RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO GPR119, GLP1R, DPP4 DPP4 3/4885FAP 366/4885CHRM1 3433/4885
US-20140051714-A1 Modulators Of The GPR119 Receptor And The Treatment Of Disorders Related Thereto GPR119, GLP1R, DPP4 DPP4 3/4885FAP 416/4885CHRM1 3217/4885
US-20180185291-A1 PHARMACEUTICAL COMPOSITIONS DPP4, SLC5A2, SLC5A1 DPP4 1/4885FAP 143/4885CHRM1 4038/4885
US-20120129874-A1 SALT FORMS OF ORGANIC COMPOUND DPP4, DPP7, DPP8 DPP4 1/4885FAP 720/4885CHRM1 2735/4885
US-20140066369-A1 Modulators Of The GPR119 Receptor And The Treatment Of Disorders Related Thereto GPR119, GLP1R, SLC5A2 DPP4 6/4885FAP 939/4885CHRM1 3279/4885
US-20170095424-A1 PHARMACEUTICAL COMPOSITION AND USES THEREOF DPP4, SLC5A2, SLC5A1 DPP4 1/4885FAP 87/4885CHRM1 3761/4885
US-20140018371-A1 Modulators Of The GPR119 Receptor And The Treatment Of Disorders Related Thereto GPR119, GCGR, GLP1R DPP4 9/4885FAP 799/4885CHRM1 2089/4885

“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.