SCHEMBL12667263

SCHEMBL12667263

CCCCc1csc(C(C)(C)C)n1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.41
KCNH2 Q12809 1/20 0.36
NOS2 P35228 1/20 0.36
SLC6A3 Q01959 1/20 0.34
DRD2 P14416 1/20 0.33
HTR6 P50406 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
ADRB2 P07550 2/20 0.32
ADRB1 P08588 2/20 0.32
ADRB3 P13945 2/20 0.32
SPHK1 Q9NYA1 1/20 0.32

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
SCHEMBL21419245 0.89 HRH1 (0.43) HRH1NOS2SLC6A3
SCHEMBL11926965 0.80 HRH1 (0.45) HRH1
SCHEMBL7079640 0.79 HRH1 (0.42) HRH1
SCHEMBL6676408 0.79 HRH1 (0.42) HRH1
SCHEMBL28730380 0.76 KCNH2 (0.41) KCNH2NOS2SLC6A3DRD2HTR6
SCHEMBL18999242 0.75 MIF (0.40) HRH1
SCHEMBL3760695 0.75 HRH1 (0.44) HRH1
SCHEMBL12926881 0.75 HRH1 (0.44) HRH1
SCHEMBL21699960 0.75 SLC6A3 (0.52) HRH1KCNH2NOS2SLC6A3DRD2
SCHEMBL30945393 0.75 KCNH2 (0.39) KCNH2NOS2SLC6A3DRD2HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10196423-B2 NPR-B agonists SHIRE ORPHAN THERAPIES GMBH (DE) 2019-02-05 US disclosed
US-9982016-B2 NPR-B agonists SHIRE ORPHAN THERAPIES GMBH (DE) 2018-05-29 US disclosed
US-9982016-B2 NPR-B agonists SHIRE ORPHAN THERAPIES GMBH (DE) 2018-05-29 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-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-9169293-B2 NPR-B agonists Shire Orphan Thereapies GmbH (DE) 2015-10-27 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 (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-20110077381-A1 NOVEL NPR-B AGONISTS NPR1, NPR3, NPBWR1 HRH1 322/4885KCNH2 1714/4885NOS2 594/4885
US-10196423-B2 NPR-B agonists NPR1, NPR3, NPBWR1 HRH1 314/4885KCNH2 1879/4885NOS2 538/4885
US-20170313743-A1 NPR-B Agonists NPR1, NPR3, NPBWR1 HRH1 314/4885KCNH2 1879/4885NOS2 538/4885
US-20160194357-A1 Novel NPR-B Agonists NPR1, NPR3, NPBWR1 HRH1 322/4885KCNH2 1714/4885NOS2 594/4885
US-20110112038-A1 NOVEL NPR-B AGONISTS NPR1, NPR3, NPBWR1 HRH1 322/4885KCNH2 1714/4885NOS2 594/4885

“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.