SCHEMBL4547890

SCHEMBL4547890

CC(C)c1ccc(CN2CCCC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.65
ALDH1A1 P00352 5/20 0.62
KDM4E B2RXH2 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.59
HTT P42858 1/20 0.59
HRH4 Q9H3N8 1/20 0.59
NCF1 P14598 1/20 0.56
MBTD1 Q05BQ5 1/20 0.55
L3MBTL3 Q96JM7 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
POLB P06746 1/20 0.55
CYP2D6 P10635 1/20 0.53
CYP2C19 P33261 1/20 0.53
MEN1 O00255 1/20 0.51
GFER P55789 1/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL11139655 0.98 HRH3 (0.69) HRH3ALDH1A1KDM4ESMN1; SMN2HTT
Hydrochloric Acid SCHEMBL7404903 0.96 HRH3 (0.67) HRH3ALDH1A1KDM4ESMN1; SMN2HTT
SCHEMBL4547912 0.96 ALDH1A1 (0.59) HRH3ALDH1A1KDM4ESMN1; SMN2HTT
SCHEMBL17465252 0.86 CHKA (0.71) HRH3ALDH1A1KDM4ESMN1; SMN2HTT
SCHEMBL14847024 0.85 HRH3 (0.67) HRH3ALDH1A1KDM4ESMN1; SMN2HRH4
SCHEMBL28645590 0.85 HRH3 (0.61) HRH3ALDH1A1KDM4ESMN1; SMN2HTT
SCHEMBL1935806 0.85 HRH3 (0.67) HRH3ALDH1A1KDM4ESMN1; SMN2HRH4
SCHEMBL14923999 0.85 ALDH1A1 (0.65) HRH3ALDH1A1KDM4ESMN1; SMN2HTT
SCHEMBL6894415 0.85 LMNA (0.68) HRH3ALDH1A1KDM4ESMN1; SMN2HTT
SCHEMBL10178474 0.83 HRH3 (0.59) HRH3ALDH1A1KDM4EHRH4NCF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230043159-A1 MATRIPTASE 2 INHIBITORS AND USES THEREOF DISC MEDICINE, INC. 2023-02-09 US disclosed
EP-3444124-B1 METHOD OF MAKING A FUNCTIONALIZED ELASTOMER GOODYEAR TIRE & RUBBER (US) 2020-08-05 EP disclosed
US-10654828-B2 Indole derivatives and uses thereof NOVARTIS AG (CH) 2020-05-19 US disclosed
US-10633350-B2 Diphenyl derivatives and uses thereof NOVARTIS AG (CH) 2020-04-28 US disclosed
US-10472434-B2 Functionalized elastomer THE GOODYEAR TIRE & RUBBER COMPANY (US) 2019-11-12 US disclosed
US-10301400-B2 Method of making a functionalized elastomer THE GOODYEAR TIRE & RUBBER COMPANY (US) 2019-05-28 US disclosed
WO-2019053090-A1 DIPHENYL DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2019-03-21 WO disclosed
US-20190077773-A1 DIPHENYL DERIVATIVES AND USES THEREOF NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2019-03-14 US disclosed
US-20190055219-A1 INDOLE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2019-02-21 US disclosed
US-20190055332-A1 FUNCTIONALIZED ELASTOMER MIZUHO BANK, LTD., AS ADMINISTRATIVE AGENT 2019-02-21 US disclosed
US-7504411-B2 2,3,6-Trisubstituted-4-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-17 US disclosed
US-7504411-B2 2,3,6-Trisubstituted-4-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-17 US disclosed
WO-2008154601-A1 ANTI-VIRAL INHIBITORS AND METHODS OF USE GENELABS TECHNOLOGIES, INC. (US) 2008-12-18 WO disclosed
US-20080255155-A1 KINASE INHIBITORS AND USES THEREOF METHLYGENE INC. (CA) 2008-10-16 US disclosed
US-20080064718-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE INC. (CA) 2008-03-13 US disclosed
US-20080004273-A1 Inhibitors of protein tyrosine kinase activity METHYLGENE, INC. (CA) 2008-01-03 US disclosed
US-20080004273-A1 Inhibitors of protein tyrosine kinase activity METHYLGENE, INC. (CA) 2008-01-03 US disclosed
US-20070027166-A1 Pyrazolo pyrimidines useful as aurora kinase inhibitors SUNESIS PHARMACEUTICALS, INC. 2007-02-01 US disclosed
US-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE, INC. 2007-01-04 US disclosed
US-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE, INC. 2007-01-04 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 (11 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-20190077773-A1 DIPHENYL DERIVATIVES AND USES THEREOF MYOF, NGF, MUSK HRH3 4847/4885ALDH1A1 921/4885KDM4E 2168/4885
US-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling HGF, MET, FLT1 HRH3 1501/4885ALDH1A1 1649/4885KDM4E 4094/4885
US-20080255155-A1 KINASE INHIBITORS AND USES THEREOF ABL1, MAP3K20, MAP3K1 HRH3 3157/4885ALDH1A1 3553/4885KDM4E 840/4885
US-20080064718-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY HGF, ERBB2, MET HRH3 2228/4885ALDH1A1 3139/4885KDM4E 2282/4885
US-20190055219-A1 INDOLE DERIVATIVES AND USES THEREOF MYLK2, MYOF, MUSK HRH3 4051/4885ALDH1A1 1676/4885KDM4E 2754/4885
US-20070027166-A1 Pyrazolo pyrimidines useful as aurora kinase inhibitors AURKA, AURKB, AURKC HRH3 1799/4885ALDH1A1 3764/4885KDM4E 951/4885
US-10633350-B2 Diphenyl derivatives and uses thereof MYOF, NGF, MUSK HRH3 4847/4885ALDH1A1 921/4885KDM4E 2168/4885
US-20230043159-A1 MATRIPTASE 2 INHIBITORS AND USES THEREOF MMP7, MATR3, SPINT2 HRH3 3172/4885ALDH1A1 3877/4885KDM4E 1948/4885
US-10654828-B2 Indole derivatives and uses thereof MYLK2, MYOF, MUSK HRH3 4051/4885ALDH1A1 1676/4885KDM4E 2754/4885
US-20080004273-A1 Inhibitors of protein tyrosine kinase activity HGF, ERBB2, MET HRH3 2228/4885ALDH1A1 3139/4885KDM4E 2282/4885
US-10301400-B2 Method of making a functionalized elastomer MUS81, RTN4, KCNN4 HRH3 285/4885ALDH1A1 3649/4885KDM4E 1357/4885

“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.