SCHEMBL12295186

SCHEMBL12295186

Cc1ccc(F)c(C(C)C)c1Cl

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.31
ACHE P22303 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
RRM1 P23921 1/20 0.31
RRM2B Q7LG56 1/20 0.31
LMNA P02545 1/20 0.30
HTR2A P28223 2/20 0.30
HTR2C P28335 2/20 0.30
RAPGEF4 Q8WZA2 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
SCHEMBL12295184 0.84 MET (0.37) HTR2AHTR2C
SCHEMBL3097748 0.83 CHRM2 (0.32) CHRM2CHRM1RRM1RRM2B
SCHEMBL5256194 0.83 P2RX7 (0.33)
SCHEMBL10381407 0.83 MET (0.35) CYP3A4ACHELMNAHTR2AHTR2C
SCHEMBL12967883 0.81 LMNA (0.34) CYP3A4LMNA
SCHEMBL12985905 0.77 LMNA (0.35) CYP3A4CHRM1LMNA
SCHEMBL10304822 0.77 ACHE (0.33) ACHELMNA
SCHEMBL9945905 0.77 ACHE (0.33) ACHELMNA
SCHEMBL9945902 0.77 CHRM2 (0.34) ACHECHRM2CHRM1RRM1RRM2B
SCHEMBL20314908 0.77 MAPK1 (0.38) CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11352343-B2 Urea derivatives and uses thereof KALA PHARMACEUTICALS, INC. (US) 2022-06-07 US disclosed
US-20210380588-A1 Novel Compounds and Uses Thereof OXFORD FINANCE LLC 2021-12-09 US disclosed
US-10954244-B2 Compounds and uses thereof KALA PHARMACEUTICALS, INC. (US) 2021-03-23 US disclosed
US-20200299272-A1 Urea Derivatives and Uses Thereof KALA BIO, Inc. 2020-09-24 US disclosed
US-10723719-B2 Urea derivatives and uses thereof KALA PHARMACEUTICALS, INC. (US) 2020-07-28 US disclosed
US-20200157106-A1 Novel Compounds and Uses Thereof KALA BIO, Inc. 2020-05-21 US disclosed
US-20190284172-A1 Urea Derivatives and Uses Thereof KALA BIO, Inc. 2019-09-19 US disclosed
US-10351570-B2 Compounds and uses thereof KALA PHARMACEUTICALS, INC. (US) 2019-07-16 US disclosed
US-10329280-B2 Urea derivatives and uses thereof KALA PHARMACEUTICALS, INC. (US) 2019-06-25 US disclosed
US-10316022-B2 Urea derivatives and uses thereof KALA PHARMACEUTICALS, INC. (US) 2019-06-11 US disclosed
US-8563541-B2 Azepine inhibitors of Janus kinases INCYTE CORPORATION (US) 2013-10-22 US disclosed
US-8486950-B2 Janus kinase inhibitor compounds and methods F. HOFFMANN-LA ROCHE AG (CH) 2013-07-16 US disclosed
US-20130096104-A1 IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2013-04-18 US disclosed
US-20120329782-A1 AZEPINE INHIBITORS OF JANUS KINASES INCYTE CORPORATION (US) 2012-12-27 US disclosed
US-20120329782-A1 AZEPINE INHIBITORS OF JANUS KINASES INCYTE CORPORATION (US) 2012-12-27 US disclosed
WO-2011113802-A2 IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2011-09-22 WO disclosed
WO-2010142752-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS F. HOFFMANN-LA ROCHE AG (CH) 2010-12-16 WO disclosed
US-20100317643-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2010-12-16 US disclosed
US-20090197869-A1 AZEPINE INHIBITORS OF JANUS KINASES INCYTE CORPORATION, A DELAWARE CORPORATION 2009-08-06 US disclosed
US-20070149506-A1 Azepine inhibitors of Janus kinases INCYTE CORPORATION 2007-06-28 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 (15 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-20130096104-A1 IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE TYK2, IRAK1, IRAK4 CYP3A4 858/4885ACHE 4063/4885CHRM2 489/4885
US-20120329782-A1 AZEPINE INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 CYP3A4 3714/4885ACHE 4715/4885CHRM2 4874/4885
US-10316022-B2 Urea derivatives and uses thereof UACA, RB1, FLT1 CYP3A4 2435/4885ACHE 824/4885CHRM2 1040/4885
US-11352343-B2 Urea derivatives and uses thereof UACA, RB1, FLT1 CYP3A4 2435/4885ACHE 824/4885CHRM2 1040/4885
US-20100317643-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 CYP3A4 591/4885ACHE 4775/4885CHRM2 3929/4885
US-20210380588-A1 Novel Compounds and Uses Thereof RB1, VEGFA, UACA CYP3A4 1967/4885ACHE 1450/4885CHRM2 726/4885
US-20200157106-A1 Novel Compounds and Uses Thereof RB1, VEGFA, UACA CYP3A4 1967/4885ACHE 1450/4885CHRM2 726/4885
US-10954244-B2 Compounds and uses thereof RB1, VEGFA, FLT4 CYP3A4 1908/4885ACHE 1639/4885CHRM2 1081/4885
US-10723719-B2 Urea derivatives and uses thereof UACA, RB1, FLT1 CYP3A4 2435/4885ACHE 824/4885CHRM2 1040/4885
US-20200299272-A1 Urea Derivatives and Uses Thereof UACA, RB1, FLT1 CYP3A4 2435/4885ACHE 824/4885CHRM2 1040/4885
US-10329280-B2 Urea derivatives and uses thereof UACA, RB1, FLT1 CYP3A4 2435/4885ACHE 824/4885CHRM2 1040/4885
US-20190284172-A1 Urea Derivatives and Uses Thereof UACA, RB1, FLT1 CYP3A4 2435/4885ACHE 824/4885CHRM2 1040/4885
US-10351570-B2 Compounds and uses thereof RB1, VEGFA, FLT4 CYP3A4 1908/4885ACHE 1639/4885CHRM2 1081/4885
US-20090197869-A1 AZEPINE INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 CYP3A4 3714/4885ACHE 4715/4885CHRM2 4874/4885
US-20070149506-A1 Azepine inhibitors of Janus kinases JAK1, JAK3, JAK2 CYP3A4 3714/4885ACHE 4715/4885CHRM2 4874/4885

“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.