SCHEMBL12667404

SCHEMBL12667404

CC(C)Nc1cnc(C(=O)C(C)C)s1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HCAR3 P49019 1/20 0.37
▸ LIMK1 P53667 2/20 0.36
▸ CDK2 P24941 3/20 0.36
▸ CCNE1 P24864 1/20 0.36
▸ CDK5 Q00535 1/20 0.36
▸ MAPK14 Q16539 3/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ FDPS P14324 1/20 0.31
▸ IDO1 P14902 1/20 0.31
▸ CCNA2 P20248 2/20 0.31
▸ ALOX15 P16050 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ CASP1 P29466 1/20 0.30
▸ TRPM8 Q7Z2W7 1/20 0.30
▸ MAPK1 P28482 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
SCHEMBL25884614 0.77 HCAR3 (0.33) HCAR3ALOX15TSHRCASP1
SCHEMBL23835830 0.73 LIMK1 (0.42) LIMK1CDK2CCNE1CDK5MEN1
SCHEMBL25571558 0.71 LRRK2 (0.37) HCAR3LIMK1CDK5FDPSTRPM8
SCHEMBL17248050 0.70 MAPK14 (0.50) CDK2CCNE1CDK5MAPK14FDPS
SCHEMBL26546522 0.69 GAA (0.35) HCAR3CDK2MEN1KMT2AL3MBTL1
SCHEMBL23835831 0.68 HDAC1 (0.47) LIMK1MEN1KMT2AL3MBTL1
SCHEMBL17206690 0.67 — —
SCHEMBL15357789 0.67 FDPS (0.32) MEN1KMT2AFDPSTRPM8MAPK1
SCHEMBL16708654 0.67 HCAR3 (0.36) HCAR3CDK2CCNA2TRPM8MAPK1
SCHEMBL14099759 0.67 KDM4E (0.33) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9982016-B2 NPR-B agonists SHIRE ORPHAN THERAPIES GMBH (DE) 2018-05-29 — — US disclosed
US-20180094029-A1 METHODS OF TREATING OPHTHALMIC DISEASES USING NPR-B AGONISTS ALCON RESEARCH, LTD. 2018-04-05 — — US disclosed
US-20180094029-A1 METHODS OF TREATING OPHTHALMIC DISEASES USING NPR-B AGONISTS ALCON RESEARCH, LTD. 2018-04-05 — — US disclosed
US-9822147-B2 Methods of treating ophthalmic diseases using NPR-B agonists SHIRE ORPHAN THERAPIES GMBH (DE) 2017-11-21 — — US disclosed
US-9822147-B2 Methods of treating ophthalmic diseases using NPR-B agonists SHIRE ORPHAN THERAPIES GMBH (DE) 2017-11-21 — — US disclosed
US-20170313743-A1 NPR-B Agonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-11-02 — — US disclosed
US-20170313743-A1 NPR-B Agonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-11-02 — — US disclosed
US-9745344-B2 NPR-B agonists SHIRE ORPHAN THERAPIES GMBH (DE) 2017-08-29 — — US disclosed
US-9745344-B2 NPR-B agonists SHIRE ORPHAN THERAPIES GMBH (DE) 2017-08-29 — — US disclosed
US-20170101440-A1 METHODS OF TREATING OPHTHALMIC DISEASES USING NPR-B AGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-04-13 — — US disclosed
US-20170101440-A1 METHODS OF TREATING OPHTHALMIC DISEASES USING NPR-B AGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-04-13 — — US disclosed
US-20160194357-A1 Novel NPR-B Agonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-07-07 — — US disclosed
US-9187525-B2 Methods of treating ophthalmic diseases using NPR-B agonists SHIRE ORPHAN THERAPIES GMBH (DE) 2015-11-17 — — US disclosed
US-8551938-B2 NPR-B agonists ALCON RESEARCH, LTD. (US) 2013-10-08 — — US disclosed
US-8546523-B2 NPR-B agonists ALCON RESEARCH, LTD. (US) 2013-10-01 — — US disclosed
US-20110112038-A1 NOVEL NPR-B AGONISTS ALCON RESEARCH, LTD. (US) 2011-05-12 — — US disclosed
US-20110077381-A1 NOVEL NPR-B AGONISTS ALCON RESEARCH, LTD. (US) 2011-03-31 — — 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 (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-20110077381-A1 NOVEL NPR-B AGONISTS NPR1, NPR3, NPBWR1 HCAR3 130/4885LIMK1 3680/4885CDK2 4325/4885
US-20180094029-A1 METHODS OF TREATING OPHTHALMIC DISEASES USING NPR-B AGONISTS NPR1, EDNRB, NPR3 HCAR3 121/4885LIMK1 3934/4885CDK2 4629/4885
US-20170313743-A1 NPR-B Agonists NPR1, NPR3, NPBWR1 HCAR3 107/4885LIMK1 4044/4885CDK2 4353/4885
US-20160194357-A1 Novel NPR-B Agonists NPR1, NPR3, NPBWR1 HCAR3 130/4885LIMK1 3680/4885CDK2 4325/4885
US-20110112038-A1 NOVEL NPR-B AGONISTS NPR1, NPR3, NPBWR1 HCAR3 130/4885LIMK1 3680/4885CDK2 4325/4885
US-20170101440-A1 METHODS OF TREATING OPHTHALMIC DISEASES USING NPR-B AGONISTS NPR1, EDNRB, NPR3 HCAR3 121/4885LIMK1 3934/4885CDK2 4629/4885

“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.

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