SCHEMBL4754558

SCHEMBL4754558

O=CN1CCCc2cc(F)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
PDK1 Q15118 1/20 0.46
PDK2 Q15119 1/20 0.46
PDK3 Q15120 1/20 0.46
PDK4 Q16654 1/20 0.46
ALDH1A1 P00352 5/20 0.43
GAA P10253 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
HTR2C P28335 2/20 0.40
HTR2B P41595 2/20 0.40
CNR2 P34972 1/20 0.39
ROCK1 Q13464 1/20 0.38
KDM4C Q9H3R0 1/20 0.37
NR1I2 O75469 1/20 0.37
RORC P51449 1/20 0.37

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
SCHEMBL13993091 0.80 NOTUM (0.46) NOTUMHDAC1HDAC6ALDH1A1GAA
SCHEMBL1177124 0.80 ALDH1A1 (0.58) NOTUMPDK1PDK2PDK3PDK4
SCHEMBL1177381 0.76 HSD17B10 (0.58) NOTUMPDK1PDK2PDK3PDK4
SCHEMBL94509 0.75 SMN1; SMN2 (0.53) NOTUMALDH1A1GAAMEN1KMT2A
SCHEMBL29522795 0.75 SMN1; SMN2 (0.53) NOTUMALDH1A1GAAMEN1KMT2A
SCHEMBL2076187 0.75 TP53 (0.40) ALDH1A1GAAMEN1KMT2AMAPT
SCHEMBL24316039 0.74 NOTUM (0.46) NOTUMHDAC1HDAC6PDK1PDK2
SCHEMBL7257879 0.74 NOTUM (0.46) NOTUMHDAC1HDAC6PDK1PDK2
SCHEMBL2625790 0.74 ALDH1A1 (0.58) NOTUMHDAC1HDAC6PDK1PDK2
SCHEMBL27570415 0.74 SMN1; SMN2 (0.51) NOTUMALDH1A1GAAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2903612-B1 TETRAHYDROQUINOLINE DERIVATIVES AND THEIR USE AS EPAC INHIBITORS INST NAT SANTE RECH MED (FR) 2019-07-10 EP disclosed
US-10093627-B2 Tetrahydroquinoline derivatives and their use as Epac inhibitors INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2018-10-09 US disclosed
US-20180009757-A1 Tetrahydroquinoline Derivatives and Their Use as Epac Inhibitors Universite Paris-Saclay (FR) 2018-01-11 US disclosed
US-9751838-B2 Tetrahydroquinoline derivatives and their use as Epac inhibitors INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2017-09-05 US disclosed
US-20150252002-A1 TETRAHYDROQUINOLINE DERIVATIVES AND THEIR USE AS EPAC INHIBITORS Universite Paris-Saclay (FR) 2015-09-10 US disclosed
EP-2903612-A1 TETRAHYDROQUINOLINE DERIVATIVES AND THEIR USE AS EPAC INHIBITORS Institut National de la Santé et de la Recherche Médicale (INSERM) (FR) 2015-08-12 EP disclosed
WO-2014053315-A1 TETRAHYDROQUINOLINE DERIVATIVES AND THEIR USE AS EPAC INHIBITORS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2014-04-10 WO disclosed
US-20080318999-A1 Tricyclic Benzimidazoles and Their Use as Metabotropic Glutamate Receptor Modulators ASTRAZENECA AB (SE) 2008-12-25 US disclosed
US-20080318999-A1 Tricyclic Benzimidazoles and Their Use as Metabotropic Glutamate Receptor Modulators ASTRAZENECA AB (SE) 2008-12-25 US disclosed
US-20080318999-A1 Tricyclic Benzimidazoles and Their Use as Metabotropic Glutamate Receptor Modulators ASTRAZENECA AB (SE) 2008-12-25 US disclosed
EP-1912989-A2 TRICYCLIC BENZIMIDAZOLES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR MODULATORS AstraZeneca AB (SE) 2008-04-23 EP disclosed
WO-2007018998-A2 TRICYCLIC BENZIMIDAZOLES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2007-02-15 WO disclosed
WO-2007018998-A2 TRICYCLIC BENZIMIDAZOLES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2007-02-15 WO disclosed
US-20070032469-A1 Tricyclic benzimidazoles and their use as metabotropic glutamate receptor modulators ASTRAZENECA AB (SE) 2007-02-08 US disclosed
US-20070032469-A1 Tricyclic benzimidazoles and their use as metabotropic glutamate receptor modulators ASTRAZENECA AB (SE) 2007-02-08 US disclosed
US-20070032469-A1 Tricyclic benzimidazoles and their use as metabotropic glutamate receptor modulators ASTRAZENECA AB (SE) 2007-02-08 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 (5 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-20070032469-A1 Tricyclic benzimidazoles and their use as metabotropic glutamate receptor modulators GRM2, GRM1, GRIN2B NOTUM 3896/4885HDAC1 298/4885HDAC6 313/4885
US-20080318999-A1 Tricyclic Benzimidazoles and Their Use as Metabotropic Glutamate Receptor Modulators GRM2, GRM1, GRIN2B NOTUM 3896/4885HDAC1 298/4885HDAC6 313/4885
US-10093627-B2 Tetrahydroquinoline derivatives and their use as Epac inhibitors EPAS1, RAPGEF3, PRKCQ NOTUM 3765/4885HDAC1 3452/4885HDAC6 4069/4885
US-20180009757-A1 Tetrahydroquinoline Derivatives and Their Use as Epac Inhibitors EPAS1, RAPGEF3, PRKCQ NOTUM 3765/4885HDAC1 3452/4885HDAC6 4069/4885
US-20150252002-A1 TETRAHYDROQUINOLINE DERIVATIVES AND THEIR USE AS EPAC INHIBITORS EPAS1, RAPGEF3, PRKCQ NOTUM 3765/4885HDAC1 3452/4885HDAC6 4069/4885

“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.