SCHEMBL4687448

SCHEMBL4687448

CCCc1cncc(CC)n1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.36
NOS2 P35228 2/20 0.36
NOS1 P29475 1/20 0.36
KCNH2 Q12809 1/20 0.34
BACE1 P56817 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
CTSK P43235 6/20 0.33
CTSS P25774 3/20 0.32
CYP1A2 P05177 1/20 0.31
KDM4E B2RXH2 1/20 0.30
HSD17B10 Q99714 1/20 0.30
CYP19A1 P11511 1/20 0.30

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
SCHEMBL9797653 0.93 NOS3 (0.40) NOS3NOS2NOS1KCNH2BACE1
SCHEMBL830961 0.87 NOS3 (0.36) NOS3NOS2KCNH2HRH3
SCHEMBL295055 0.79 NOS1 (0.39) NOS3NOS2NOS1BACE1CTSK
SCHEMBL30480965 0.79 NOS1 (0.39) NOS3NOS2NOS1BACE1CTSK
SCHEMBL21690799 0.79 KCNH2 (0.34) NOS3NOS2NOS1KCNH2BACE1
SCHEMBL22701675 0.79 CTSK (0.33) NOS3NOS2NOS1KCNH2BACE1
SCHEMBL22576285 0.77 CDK2 (0.41) NOS3NOS2NOS1BACE1CTSK
SCHEMBL30041506 0.77 NOS3 (0.34) NOS3NOS2NOS1BACE1CTSK
SCHEMBL295054 0.77 NOS3 (0.34) NOS3NOS2NOS1BACE1CTSK
SCHEMBL14207213 0.77 NOS1 (0.52) NOS3NOS2NOS1BACE1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3763419-A1 CHEMOSENSORY RECEPTOR LIGAND-BASED THERAPIES Anji Pharma (US) LLC (US) 2021-01-13 EP disclosed
EP-2661266-B1 CHEMOSENSORY RECEPTOR LIGAND-BASED THERAPIES ANJI PHARMA (US) LLC (US) 2020-09-16 EP disclosed
US-10610500-B2 Chemosensory receptor ligand-based therapies ANJI PHARMA (US) LLC (US) 2020-04-07 US disclosed
US-20190038576-A1 Chemosensory Receptor Ligand-Based Therapies ANJI PHARMACEUTICALS INC. 2019-02-07 US disclosed
US-9962344-B2 Chemosensory receptor ligand-based therapies ELCELYX THERAPEUTICS, INC. (US) 2018-05-08 US disclosed
US-9962344-B2 Chemosensory receptor ligand-based therapies ELCELYX THERAPEUTICS, INC. (US) 2018-05-08 US disclosed
US-20170020829-A1 Chemosensory Receptor Ligand-Based Therapies ANJI PHARMACEUTICALS INC. 2017-01-26 US disclosed
US-20170020829-A1 Chemosensory Receptor Ligand-Based Therapies ANJI PHARMACEUTICALS INC. 2017-01-26 US disclosed
US-9463170-B2 Chemosensory receptor ligand-based therapies ELCELYX THERAPEUTICS, INC. (US) 2016-10-11 US disclosed
US-9463170-B2 Chemosensory receptor ligand-based therapies ELCELYX THERAPEUTICS, INC. (US) 2016-10-11 US disclosed
US-9050292-B2 Chemosensory receptor ligand-based therapies ELCELYX THERAPEUTICS, INC. (US) 2015-06-09 US disclosed
US-20140030332-A1 Chemosensory Receptor Ligand-Based Therapies ELCELYX THERAPEUTICS, INC. (US) 2014-01-30 US disclosed
US-20140030332-A1 Chemosensory Receptor Ligand-Based Therapies ELCELYX THERAPEUTICS, INC. (US) 2014-01-30 US disclosed
US-20120177730-A1 Chemosensory Receptor Ligand-Based Therapies ELCELYX THERAPEUTICS, INC. (US) 2012-07-12 US disclosed
US-20120177730-A1 Chemosensory Receptor Ligand-Based Therapies ELCELYX THERAPEUTICS, INC. (US) 2012-07-12 US disclosed
EP-1902717-A2 Vasopressin antagonist and oxytocin antagonist Otsuka Pharmaceutical Company, Limited (JP) 2008-03-26 EP disclosed
EP-0620003-B1 VASOPRESSIN ANTAGONIST AND OXYTOCIN ANTAGONIST OTSUKA PHARMA CO LTD (JP) 2008-01-16 EP disclosed
US-5753644-A Vasopressin antagonist and oxytocin antagonist OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-05-19 US disclosed
US-5622947-A VASODILATORS, HYPOTENSIVE AGENTS, DIURETICS, PLATELET AGGLUTINATION INHIBITORS; ALSO USED TO PREVENT PREMATURE BIRTH, TREAT DYSMENORRHEA OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-04-22 US disclosed
EP-0620003-A1 VASOPRESSIN ANTAGONIST AND OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-10-19 EP 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-20120177730-A1 Chemosensory Receptor Ligand-Based Therapies TAS1R2, TAS2R1, GPR119 NOS3 2505/4885NOS2 2835/4885NOS1 2459/4885
US-10610500-B2 Chemosensory receptor ligand-based therapies TAS1R2, TAS2R1, GPR119 NOS3 2505/4885NOS2 2835/4885NOS1 2459/4885
US-20170020829-A1 Chemosensory Receptor Ligand-Based Therapies TAS1R2, TAS2R1, GPR119 NOS3 2505/4885NOS2 2835/4885NOS1 2459/4885
US-20190038576-A1 Chemosensory Receptor Ligand-Based Therapies TAS1R2, TAS2R1, GPR119 NOS3 2505/4885NOS2 2835/4885NOS1 2459/4885
US-20140030332-A1 Chemosensory Receptor Ligand-Based Therapies TAS1R2, TAS2R1, GPR119 NOS3 2505/4885NOS2 2835/4885NOS1 2459/4885

“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.