SCHEMBL3436780

SCHEMBL3436780

CN1CCC(O)(CO)CC1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.33
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.33
ESR2 Q92731 1/20 0.32
RBP1 P09455 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
PHGDH O43175 1/20 0.31
MGLL Q99685 1/20 0.31
KMT2A Q03164 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM3 P20309 1/20 0.31

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 SCHEMBL28233292 0.97 NPSR1 (0.32) NPSR1GAAMAPK1ESR2RBP1
SCHEMBL24734656 0.91 NPSR1 (0.33) NPSR1GAAMAPK1RBP1KMT2A
SCHEMBL16564680 0.85
SCHEMBL16838113 0.80 NPSR1 (0.32) NPSR1GAAMAPK1
SCHEMBL13432054 0.80 ALDH1A1 (0.37) ESR2KMT2A
SCHEMBL8372902 0.79 KMT2A (0.34) NPSR1GAAMAPK1KMT2ACHRM2
SCHEMBL103283 0.77 KMT2A (0.36) NPSR1GAAMAPK1KMT2A
SCHEMBL19783894 0.76 KDM4E (0.35) PHGDHMGLLCHRM2CHRM3
Hydrochloric Acid SCHEMBL14311936 0.75 KMT2A (0.35) NPSR1GAAMAPK1KMT2A
SCHEMBL23442163 0.75 KDM4E (0.46) GAAESR2RBP1SMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3867238-B1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS ARRAY BIOPHARMA INC (US) 2023-06-07 EP disclosed
WO-2023061294-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE REGULATOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 再鼎医药(上海)有限公司 2023-04-20 WO disclosed
WO-2022261210-A1 KRAS MODULATORS AND USES THEREOF QUANTA THERAPEUTICS, INC. (US) 2022-12-15 WO disclosed
EP-3481823-B1 7-SUBSTITUTED 1-PYRIDYL-NAPHTHYRIDINE-3-CARBOXYLIC ACID AMIDES AND USE THEREOF Bayer Pharma AG (DE) 2020-10-28 EP disclosed
WO-2020081848-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2020-04-23 WO disclosed
WO-2020016427-A1 INHIBITORS OF HEPATITIS B VIRUS OSPEDALE SAN RAFFAELE S.R.L. (IT) 2020-01-23 WO disclosed
EP-3597637-A1 INHIBITORS OF HEPATITIS B VIRUS IRBM S.P.A. (IT) 2020-01-22 EP disclosed
US-10385055-B2 Tricyclic gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2019-08-20 US disclosed
US-10196376-B2 Hepatitis B antiviral agents NOVIRA THERAPEUTICS, INC. (US) 2019-02-05 US disclosed
EP-3312160-A1 HEPATITIS B ANTIVIRAL AGENTS Novira Therapeutics Inc. (US) 2018-04-25 EP disclosed
US-20110130364-A1 PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH CYCLIC AMINO GROUP TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-06-02 US disclosed
US-20110130364-A1 PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH CYCLIC AMINO GROUP TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-06-02 US disclosed
US-7932259-B2 Pyrrolo[2,3-d]pyrimidine derivatives substituted with a cyclic amino group TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-04-26 US disclosed
US-7932259-B2 Pyrrolo[2,3-d]pyrimidine derivatives substituted with a cyclic amino group TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-04-26 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US disclosed
US-20090215766-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES INCYTE CORPORATION 2009-08-27 US disclosed
US-20080287397-A1 Pyrrolopyrimidine Derivatives Substituted with Cyclic Amino Group TASHO PHARMACEUTICAL CO., LTD. (JP) 2008-11-20 US disclosed
US-20080287397-A1 Pyrrolopyrimidine Derivatives Substituted with Cyclic Amino Group TASHO PHARMACEUTICAL CO., LTD. (JP) 2008-11-20 US disclosed
EP-1787992-A1 Pyrrolopyrimidine and pyrrolopyridine derivatives substituted with cyclic amino group TAISHO PHARMACEUTICAL CO., LTD (JP) 2007-05-23 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 (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-10385055-B2 Tricyclic gyrase inhibitors TOP1, TOP2A, TOP2B NPSR1 4803/4885GAA 85/4885MAPK1 3055/4885
US-20080287397-A1 Pyrrolopyrimidine Derivatives Substituted with Cyclic Amino Group HRH2, HRH4, CRHR1 NPSR1 38/4885GAA 2192/4885MAPK1 1865/4885
US-20110130364-A1 PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH CYCLIC AMINO GROUP HRH2, HRH4, CRHR1 NPSR1 36/4885GAA 1921/4885MAPK1 1550/4885
US-20090215766-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES JAK1, JAK2, JAK3 NPSR1 4155/4885GAA 3102/4885MAPK1 90/4885
US-10196376-B2 Hepatitis B antiviral agents HAVCR2, EIF2AK2, IRF3 NPSR1 3290/4885GAA 621/4885MAPK1 3403/4885
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 NPSR1 276/4885GAA 3904/4885MAPK1 1316/4885

“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.