SCHEMBL12464828

SCHEMBL12464828

CCC(CC)c1ncccn1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.34
KCNA5 P22460 2/20 0.32
KCNH2 Q12809 1/20 0.32
P2RX7 Q99572 1/20 0.31
HDAC8 Q9BY41 2/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP2D6 P10635 1/20 0.31
KCNE1 P15382 1/20 0.31
HSP90AA1 P07900 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
SCHEMBL19003561 0.87 KCNA5 (0.33) TSHRKCNA5KCNH2CYP2D6KCNE1
SCHEMBL12293361 0.85 HDAC8 (0.31) TSHRHDAC8
SCHEMBL26013540 0.82 BDKRB2 (0.33) ALDH1A1CYP2D6
SCHEMBL13632434 0.81 KCNA5 (0.35) TSHRKCNA5KCNH2CYP2D6KCNE1
SCHEMBL26546032 0.79 NR1I2 (0.41) KCNH2HSP90AA1
SCHEMBL2629790 0.76 HSP90AA1 (0.33) HSP90AA1
SCHEMBL14553998 0.76 TSHR (0.38) TSHRKCNA5KCNH2HDAC8ALDH1A1
SCHEMBL10202056 0.76 TSHR (0.38) TSHRKCNA5KCNH2HDAC8ALDH1A1
SCHEMBL13663803 0.76 TSHR (0.38) TSHRKCNA5KCNH2HDAC8ALDH1A1
SCHEMBL23709479 0.75 BDKRB2 (0.35) KCNA5KCNH2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230339882-A1 SHP2 INHIBITOR AND COMPOSITION AND APPLICATION THEREOF BETTA PHARMACEUTICALS CO., LTD. (CN) 2023-10-26 US disclosed
US-11759462-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ALTAVANT SCIENCES GMBH 2023-09-19 US disclosed
WO-2023076218-A1 SPIROTRICYCLE RIPK1 INHIBITORS AND METHODS OF USES THEREOF MERCK SHARP & DOHME LLC (US) 2023-05-04 WO disclosed
EP-4092012-A1 PIPERIDINONE DERIVATIVES AS MDM2 INHIBITORS FOR THE TREATMENT OF CANCER AMGEN INC. (US) 2022-11-23 EP disclosed
WO-2022197755-A1 IMIDAZOPYRIDINYL INHIBITORS OF PLASMA KALLIKREIN SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2022-09-22 WO disclosed
US-20210205305-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2021-07-08 US disclosed
US-10946018-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ROIVANT SCIENCES GMBH (CH) 2021-03-16 US disclosed
US-20200237760-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ROIVANT SCIENCES GMBH (CH) 2020-07-30 US disclosed
US-10660893-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ROIVANT SCIENCES, GmbH (CH) 2020-05-26 US disclosed
US-20190282575-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2019-09-19 US disclosed
US-10350208-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ROIVANT SCIENCES GMBH (CH) 2019-07-16 US disclosed
US-20180092918-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2018-04-05 US disclosed
US-20170144971-A1 Piperidinone Derivatives as MDM2 Inhibitors for the Treatment of Cancer AMGEN INC. (US) 2017-05-25 US disclosed
US-20160008339-A1 PSORALEN DERIVATIVES FOR PREVENTING OR TREATING HEART FAILURE OR CARDIAC HYPERTROPHY MAX-DELBRUCK-CENTRUM FUR MOLEKULARE MEDIZIN (DE) 2016-01-14 US disclosed
US-20110183947-A1 ALPHA-KETO HETEROCYCLES AS FAAH INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2011-07-28 US disclosed
US-20090270421-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE THE SCRIPPS RESEARCH INSTITUTE (US) 2009-10-29 US disclosed
EP-2093220-A2 Inhibitors of fatty acid amide hydrolase The Scripps Research Institute (US) 2009-08-26 EP disclosed
CN-1167788-C Encapsulated perfume particles and detergent compsns. contg. said particles 2004-09-22 CN 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 (13 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-20160008339-A1 PSORALEN DERIVATIVES FOR PREVENTING OR TREATING HEART FAILURE OR CARDIAC HYPERTROPHY PAH, P4HA1, NPR3 TSHR 436/4885KCNA5 2338/4885KCNH2 2033/4885
US-10660893-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A TSHR 1218/4885KCNA5 3294/4885KCNH2 3159/4885
US-20200237760-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A TSHR 1218/4885KCNA5 3294/4885KCNH2 3159/4885
US-20180092918-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A TSHR 1218/4885KCNA5 3294/4885KCNH2 3159/4885
US-20210205305-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A TSHR 1218/4885KCNA5 3294/4885KCNH2 3159/4885
US-10350208-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A TSHR 1218/4885KCNA5 3294/4885KCNH2 3159/4885
US-11759462-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A TSHR 1218/4885KCNA5 3294/4885KCNH2 3159/4885
US-20190282575-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A TSHR 1218/4885KCNA5 3294/4885KCNH2 3159/4885
US-20090270421-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, CNR2 TSHR 1415/4885KCNA5 504/4885KCNH2 107/4885
US-20110183947-A1 ALPHA-KETO HETEROCYCLES AS FAAH INHIBITORS FAAH, FAAH2, FADS1 TSHR 3378/4885KCNA5 458/4885KCNH2 194/4885
US-20230339882-A1 SHP2 INHIBITOR AND COMPOSITION AND APPLICATION THEREOF PTPRF, PTPRCAP, PTPRJ TSHR 3019/4885KCNA5 4744/4885KCNH2 4821/4885
US-20170144971-A1 Piperidinone Derivatives as MDM2 Inhibitors for the Treatment of Cancer MDM2, TP53, CDKN1A TSHR 4432/4885KCNA5 4353/4885KCNH2 4697/4885
US-10946018-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A TSHR 1218/4885KCNA5 3294/4885KCNH2 3159/4885

“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.