SCHEMBL12239174

SCHEMBL12239174

CCc1cnc(N2CCC(C)CC2)nc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
ALDH1A1 P00352 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
OGA O60502 1/20 0.43
GPR119 Q8TDV5 11/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ACHE P22303 2/20 0.42
PDE8B O95263 1/20 0.40
MEN1 O00255 1/20 0.40
PKM P14618 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL16015955 0.86 NPC1 (0.57) TSHRALDH1A1L3MBTL1GPR119KDM4E
SCHEMBL14247009 0.86 GPR119 (0.46) OGAGPR119KDM4ENPC1RAB9A
SCHEMBL357797 0.84 AOC3 (0.44) OGAGPR119KDM4ENPC1RAB9A
SCHEMBL15189865 0.84 GPR119 (0.44) OGAGPR119KDM4ENPC1RAB9A
SCHEMBL11957018 0.84 GPR119 (0.46) OGAGPR119KDM4ENPC1RAB9A
SCHEMBL2597089 0.84 OGA (0.42) OGAGPR119KDM4ENPC1RAB9A
SCHEMBL19450729 0.83 OGA (0.47) OGAGPR119KDM4ENPC1RAB9A
SCHEMBL26157318 0.83 ACHE (0.53) TSHRALDH1A1L3MBTL1ACHEMEN1
SCHEMBL19450519 0.81 GPR119 (0.42) OGAGPR119KDM4ENPC1RAB9A
SCHEMBL14019242 0.81 HRH4 (0.48) OGAGPR119KDM4ENPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021005436-A1 COMBINATION THERAPY OF GPR119 AGONISTS AND DPP-4 INHIBITORS MANKIND PHARMA LTD. (IN) 2021-01-14 WO disclosed
EP-2780337-B1 SUBSTITUTED CYCLOPROPYL COMPOUNDS USEFUL AS GPR119 AGONISTS MERCK SHARP & DOHME (US) 2017-12-20 EP disclosed
US-20170291894-A1 NOVEL GPR119 AGONIST COMPOUNDS MANKIND PHARMA LTD. (IN) 2017-10-12 US disclosed
WO-2017175066-A1 HETEROCYCLIC GPR119 AGONIST COMPOUNDS MANKIND PHARMA LTD. (IN) 2017-10-12 WO disclosed
EP-2760855-B1 SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AS WELL AS THEIR USE IN TREATING TYPE-2 DIABETES MERCK SHARP & DOHME (US) 2017-03-15 EP disclosed
US-20140018380-A1 BICYCLIC HETEROARYL COMPOUNDS AS GPR119 RECEPTOR AGONISTS CENTAURUS BIOPHARMA CO., LTD. (CN) 2014-01-16 US disclosed
EP-2331503-B1 4-PHENOXYMETHYLPIPERIDINES AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2013-08-21 EP disclosed
US-20110263557-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2011-10-27 US disclosed
US-20100022515-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2010-01-28 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 (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-20140018380-A1 BICYCLIC HETEROARYL COMPOUNDS AS GPR119 RECEPTOR AGONISTS GPR119, GPR88, GPR84 TSHR 363/4885ALDH1A1 1357/4885L3MBTL1 4408/4885
US-20100022515-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY GPR119, GCGR, GPR65 TSHR 926/4885ALDH1A1 2253/4885L3MBTL1 4668/4885
US-20170291894-A1 NOVEL GPR119 AGONIST COMPOUNDS GPR119, GPR84, GPR88 TSHR 566/4885ALDH1A1 1629/4885L3MBTL1 4764/4885
US-20110263557-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY GPR119, GPR55, NR1H2 TSHR 1098/4885ALDH1A1 2341/4885L3MBTL1 4277/4885

“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.