SCHEMBL12373870

SCHEMBL12373870

Cn1cnc(-c2ccc(C3=CCNCC3)cc2)n1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.49
QDPR P09417 3/20 0.49
SIGMAR1 Q99720 2/20 0.49
KHK P50053 6/20 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
Hydrochloric Acid SCHEMBL2278255 0.99 HTR2C (0.50) HTR2CQDPRSIGMAR1KHK
Hydrochloric Acid SCHEMBL20395786 0.99 HTR2C (0.50) HTR2CQDPRSIGMAR1KHK
SCHEMBL12374234 0.87 HTR2C (0.39) HTR2CQDPRSIGMAR1KHK
Hydrochloric Acid SCHEMBL2275244 0.86 HTR2C (0.40) HTR2CQDPRSIGMAR1KHK
Hydrochloric Acid SCHEMBL18113566 0.84 ALOX5AP (0.44) HTR2CQDPRSIGMAR1KHK
SCHEMBL20414655 0.84 ALOX5AP (0.44) HTR2CQDPRSIGMAR1KHK
SCHEMBL20420134 0.84 HTR2C (0.43) HTR2CQDPRSIGMAR1KHK
Hydrochloric Acid SCHEMBL18113568 0.83 HTR2C (0.44) HTR2CQDPRSIGMAR1KHK
SCHEMBL2278717 0.82 HTR2C (0.45) HTR2CQDPRSIGMAR1KHK
SCHEMBL2275039 0.82 HTR2C (0.49) HTR2CQDPRSIGMAR1KHK

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
US-20210115058-A1 SPIROCYCLIC COMPOUNDS RECURIUM IP HOLDINGS, LLC 2021-04-22 US disclosed
US-10934304-B2 Spirocyclic compounds RECURIUM IP HOLDINGS, LLC (US) 2021-03-02 US disclosed
CN-107849053-B Spiro compounds 里科瑞尔姆IP控股有限责任公司 2020-10-30 CN disclosed
US-20200268714-A1 SPIROCYCLIC COMPOUNDS KALYRA PHARMACEUTICALS, INC. 2020-08-27 US disclosed
US-20200268714-A1 SPIROCYCLIC COMPOUNDS KALYRA PHARMACEUTICALS, INC. 2020-08-27 US disclosed
US-20200207776-A1 SPIROCYCLIC COMPOUNDS Zeno Royalties & Milestones, LLC 2020-07-02 US disclosed
EP-3277690-B1 SPIROCYCLIC COMPOUNDS RECURIUM IP HOLDINGS LLC (US) 2020-02-26 EP disclosed
EP-3277690-B1 SPIROCYCLIC COMPOUNDS RECURIUM IP HOLDINGS LLC (US) 2020-02-26 EP disclosed
US-20190201380-A1 SPIROCYCLIC COMPOUNDS KALYRA PHARMACEUTICALS, INC. 2019-07-04 US disclosed
US-20190201380-A1 SPIROCYCLIC COMPOUNDS KALYRA PHARMACEUTICALS, INC. 2019-07-04 US disclosed
WO-2018067512-A1 SPIROCYCLIC COMPOUNDS KALYRA PHARMACEUTICALS, INC. (US) 2018-04-12 WO disclosed
EP-3277690-A1 SPIROCYCLIC COMPOUNDS Kalyra Pharmaceuticals, Inc. (US) 2018-02-07 EP disclosed
WO-2016161160-A1 SPIROCYCLIC COMPOUNDS KALYRA PHARMACEUTICALS, INC. (US) 2016-10-06 WO disclosed
WO-2016161160-A1 SPIROCYCLIC COMPOUNDS KALYRA PHARMACEUTICALS, INC. (US) 2016-10-06 WO disclosed
EP-2260031-B1 COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME (US) 2015-10-07 EP disclosed
US-8716483-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2014-05-06 US disclosed
US-8716483-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2014-05-06 US disclosed
US-20110189192-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME LLC 2011-08-04 US disclosed
US-20110189192-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME LLC 2011-08-04 US disclosed
WO-2009105500-A1 COMPOUNDS THAT ARE ERK INHIBITORS SCHERING CORPORATION (US) 2009-08-27 WO 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 (6 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-20210115058-A1 SPIROCYCLIC COMPOUNDS PKD1, AR, PKD2 HTR2C 2823/4885QDPR 2060/4885SIGMAR1 2013/4885
US-20200268714-A1 SPIROCYCLIC COMPOUNDS PKD1, AR, PKD2 HTR2C 2823/4885QDPR 2060/4885SIGMAR1 2013/4885
US-20190201380-A1 SPIROCYCLIC COMPOUNDS PKD1, AR, PKD2 HTR2C 2823/4885QDPR 2060/4885SIGMAR1 2013/4885
US-20110189192-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MAPK1, MAPK4, MAPK10 HTR2C 3854/4885QDPR 598/4885SIGMAR1 1297/4885
US-20200207776-A1 SPIROCYCLIC COMPOUNDS PKD1, AR, PKD2 HTR2C 2823/4885QDPR 2060/4885SIGMAR1 2013/4885
US-10934304-B2 Spirocyclic compounds PKD1, AR, PKD2 HTR2C 2823/4885QDPR 2060/4885SIGMAR1 2013/4885

“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.