SCHEMBL77615

SCHEMBL77615

c1cc(OC2CCC2)ccn1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.48
FURIN P09958 2/20 0.42
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
HRH1 P35367 1/20 0.41
CYP19A1 P11511 4/20 0.41
ROCK1 Q13464 1/20 0.41
EPHX2 P34913 1/20 0.40
IKBKB O14920 1/20 0.40
LRRK2 Q5S007 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
PDE4A P27815 1/20 0.38
BTK Q06187 1/20 0.38
FDPS P14324 1/20 0.38

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
SCHEMBL28179921 0.95 CYP19A1 (0.44) PARP10CHRNB2CHRNA4HRH1CYP19A1
SCHEMBL13165443 0.93 CYP19A1 (0.46) PARP10CHRNB2CHRNA4HRH1CYP19A1
SCHEMBL20400026 0.91 HRH1 (0.43) PARP10CHRNB2CHRNA4HRH1ROCK1
SCHEMBL31540092 0.91 HRH1 (0.43) PARP10CHRNB2CHRNA4HRH1ROCK1
SCHEMBL20294737 0.83 FURIN (0.45) PARP10FURINCHRNB2CHRNA4CYP19A1
SCHEMBL3116000 0.83 EPHX2 (0.39) PARP10CHRNB2CHRNA4HRH1ROCK1
SCHEMBL29435759 0.81 LRRK2 (0.48) HRH1EPHX2IKBKBLRRK2
SCHEMBL14654942 0.81 CYP19A1 (0.49) HRH1CYP19A1EPHX2IKBKB
SCHEMBL14634351 0.81 EPHX2 (0.41) PARP10HRH1CYP19A1EPHX2IKBKB
SCHEMBL29324903 0.81 EPHX2 (0.41) PARP10HRH1CYP19A1EPHX2IKBKB

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
CN-114728918-A RIP1 inhibiting compounds and methods of making and using the same 里格尔药品股份有限公司 2022-07-08 CN disclosed
US-9556160-B2 Guanidine compound ASTELLAS PHARMA INC. (JP) 2017-01-31 US disclosed
US-20150203480-A1 GUANIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2015-07-23 US disclosed
US-9051283-B2 Guanidine compound ASTELLAS PHARMA INC. (JP) 2015-06-09 US disclosed
US-20130143860-A1 GUANIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-06-06 US disclosed
US-20120129855-A1 PHTHALAZINONE DERIVATIVES MENEAR KEITH ALLAN (GB) 2012-05-24 US disclosed
US-20120129855-A1 PHTHALAZINONE DERIVATIVES MENEAR KEITH ALLAN (GB) 2012-05-24 US disclosed
US-20120129855-A1 PHTHALAZINONE DERIVATIVES MENEAR KEITH ALLAN (GB) 2012-05-24 US disclosed
US-8129380-B2 Phthalazinone derivatives ASTRAZENECA AB (SE) 2012-03-06 US disclosed
US-8129380-B2 Phthalazinone derivatives ASTRAZENECA AB (SE) 2012-03-06 US disclosed
US-8129380-B2 Phthalazinone derivatives ASTRAZENECA AB (SE) 2012-03-06 US disclosed
EP-2231638-A1 PHTHALAZINONE DERIVATIVES AstraZeneca AB (SE) 2010-09-29 EP disclosed
US-20090192156-A1 PHTHALAZINONE DERIVATIVES KUDOS PHARMACEUTICALS LIMITED (GB) 2009-07-30 US disclosed
US-20090192156-A1 PHTHALAZINONE DERIVATIVES KUDOS PHARMACEUTICALS LIMITED (GB) 2009-07-30 US disclosed
US-20090192156-A1 PHTHALAZINONE DERIVATIVES KUDOS PHARMACEUTICALS LIMITED (GB) 2009-07-30 US disclosed
WO-2009093032-A1 PHTHALAZINONE DERIVATIVES ASTRAZENECA AB (SE) 2009-07-30 WO disclosed
WO-2009093032-A1 PHTHALAZINONE DERIVATIVES ASTRAZENECA AB (SE) 2009-07-30 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 (4 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-20090192156-A1 PHTHALAZINONE DERIVATIVES CBR1, CBR3, SDHA PARP10 2119/4885FURIN 1557/4885CHRNB2 2682/4885
US-20130143860-A1 GUANIDINE COMPOUND GUCY1A1, VAPA, VAPB PARP10 2291/4885FURIN 3506/4885CHRNB2 3929/4885
US-20120129855-A1 PHTHALAZINONE DERIVATIVES CBR1, CBR3, SDHA PARP10 2119/4885FURIN 1557/4885CHRNB2 2682/4885
US-20150203480-A1 GUANIDINE COMPOUND GUCY1A1, VAPA, VAPB PARP10 2291/4885FURIN 3506/4885CHRNB2 3929/4885

“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.