SCHEMBL7750182

SCHEMBL7750182

CC(C)(C)NC1Cc2ccccc2C1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
MTNR1A P48039 2/20 0.42
MTNR1B P49286 2/20 0.42
GRIN2B Q13224 4/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
GRM7 Q14831 2/20 0.40
SIGMAR1 Q99720 2/20 0.39
EPHX2 P34913 1/20 0.37
MAPT P10636 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
SCHEMBL10260419 0.86 MTNR1A (0.56) CA1CA2MTNR1AMTNR1BGRIN2B
SCHEMBL8092615 0.79 GRIN2B (0.41) IDO1CA1CA2MTNR1AMTNR1B
SCHEMBL18482293 0.79 MTNR1A (0.41) IDO1CA1CA2MTNR1AMTNR1B
SCHEMBL10617646 0.74 KDM4E (0.38) MAPT
SCHEMBL714537 0.73 SIGMAR1 (0.53) IDO1CA1CA2MTNR1AMTNR1B
SCHEMBL9281722 0.72 GRIN2B (0.50) IDO1CA1CA2MTNR1AMTNR1B
SCHEMBL6589968 0.72 CA1 (0.52) IDO1CA1CA2MTNR1AMTNR1B
SCHEMBL8666729 0.72 MAPT (0.44) IDO1MTNR1AMTNR1BGRIN2BGRM7
Hydrochloric Acid SCHEMBL1027335 0.71 SIGMAR1 (0.52) IDO1CA1CA2MTNR1AMTNR1B
SCHEMBL20063430 0.71 SCN9A (0.35) IDO1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230058189-A1 QUINOLIN-4-ONE AND 4(1H)-CINNOLINONE COMPOUNDS AND METHODS OF USING SAME Frequency Therapeutics, Inc. (US) 2023-02-23 US disclosed
US-20170037010-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2017-02-09 US disclosed
US-20170037010-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2017-02-09 US disclosed
US-9301951-B2 Compounds and methods for inhibiting phosphate transport ARDELYX, INC. (US) 2016-04-05 US disclosed
US-20150164876-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2015-06-18 US disclosed
US-8916569-B2 Compounds and methods for inhibiting phosphate transport ARDELYX, INC. (US) 2014-12-23 US disclosed
US-20140023611-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2014-01-23 US disclosed
US-20090192177-A1 2-ARYL pyrrologpyrimidines for A1 and A3 receptors OSI PHARMACEUTICALS, INC. 2009-07-30 US disclosed
US-20090082369-A1 Pyrrolo[2,3d]pyrimidine compositions and their use OSI PHARMACEUTICALS, INC. 2009-03-26 US disclosed
US-7504391-B2 Selective D1/D5 receptor antagonists for the treatment of obesity and CNS disorders SCHERING CORPORATION (US) 2009-03-17 US disclosed
US-7429574-B2 4-heterocyclo-pyrrolo[2,3d] pyrimidine compositions and their use OSI PHARMACEUTICALS, INC. (US) 2008-09-30 US disclosed
US-20080070936-A1 Compounds specific to adenosine A1 receptors and uses thereof OSI PHARMACEUTICALS, INC. 2008-03-20 US disclosed
US-20080058312-A1 Modulators of hepatocyte growth factor/c-Met activity ANGION BIOMEDICA CORPORATION (US) 2008-03-06 US disclosed
US-20070275964-A1 CANNABINOID RECEPTOR LIGANDS AND USES THEREOF PFIZER, INC. 2007-11-29 US disclosed
US-20070275964-A1 CANNABINOID RECEPTOR LIGANDS AND USES THEREOF PFIZER, INC. 2007-11-29 US disclosed
US-7282608-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2007-10-16 US disclosed
US-7268133-B2 Cannabinoid receptor ligands and uses thereof PFIZER, INC. PATENT DEPARTMENT (US) 2007-09-11 US disclosed
US-7160890-B2 Compounds specific to adenosine A3 receptor and uses thereof OSI PHARMACEUTICALS, INC. (US) 2007-01-09 US disclosed
US-20040214837-A1 Cannabinoid receptor ligands and uses thereof PFIZER INC. 2004-10-28 US disclosed
US-6680324-B2 4-AMINO-6-PHENYL-PYRROLO(2,3-D)PYRIMIDINE DERIVATIVES OSI PHARMACEUTICALS, INC. 2004-01-20 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 (10 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-20150164876-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC34A2, SLC34A1, SLC10A2 IDO1 3699/4885CA1 708/4885CA2 203/4885
US-20090192177-A1 2-ARYL pyrrologpyrimidines for A1 and A3 receptors ADORA3, ADORA1, ADORA2A IDO1 1104/4885CA1 4521/4885CA2 3843/4885
US-20170037010-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC34A2, SLC34A1, SLC10A2 IDO1 3699/4885CA1 708/4885CA2 203/4885
US-20040214837-A1 Cannabinoid receptor ligands and uses thereof CNR1, CNR2, GPR18 IDO1 2478/4885CA1 3182/4885CA2 3167/4885
US-20140023611-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC10A2, SLC34A2, SLC34A3 IDO1 4387/4885CA1 887/4885CA2 242/4885
US-20090082369-A1 Pyrrolo[2,3d]pyrimidine compositions and their use ADORA3, ADORA2A, ADORA1 IDO1 587/4885CA1 4534/4885CA2 3494/4885
US-20080070936-A1 Compounds specific to adenosine A1 receptors and uses thereof ADORA1, ADORA2A, ADORA3 IDO1 1348/4885CA1 2950/4885CA2 2551/4885
US-20230058189-A1 QUINOLIN-4-ONE AND 4(1H)-CINNOLINONE COMPOUNDS AND METHODS OF USING SAME DCX, NES, MCL1 IDO1 1892/4885CA1 1987/4885CA2 4078/4885
US-20070275964-A1 CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, GPR18 IDO1 2621/4885CA1 3313/4885CA2 3228/4885
US-20080058312-A1 Modulators of hepatocyte growth factor/c-Met activity HGF, MET, HDGF IDO1 2740/4885CA1 1983/4885CA2 2790/4885

“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.