SCHEMBL8037422

SCHEMBL8037422

COCCc1ccc(Cl)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.41
PTPN7 P35236 1/20 0.39
DUSP3 P51452 1/20 0.39
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PNMT P11086 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
MCL1 Q07820 1/20 0.38
KCNH2 Q12809 1/20 0.36
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 2/20 0.35
TP53 P04637 2/20 0.35
SIGMAR1 Q99720 2/20 0.35
TSHR P16473 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL8037047 0.89 SKP2 (0.40) GPR84PTPN7DUSP3KDM4ETDP1
SCHEMBL16771200 0.84 PNMT (0.55) PNMTTAAR1KCNH2HPGDKMT2A
SCHEMBL14426652 0.80 KDM4E (0.42) GPR84PTPN7DUSP3KDM4ETDP1
SCHEMBL91283 0.78 GPR84 (0.44) GPR84KDM4EPNMTTAAR1KCNH2
SCHEMBL12841593 0.78 SKP2 (0.46) PNMTTAAR1FFAR4KMT2ATP53
SCHEMBL20187505 0.78 GPR84 (0.40) GPR84PTPN7DUSP3KDM4EPNMT
SCHEMBL23093144 0.77 SKP2 (0.59) KDM4ETDP1HPGDKMT2ATSHR
SCHEMBL8914905 0.77 ESR1 (0.59) TDP1TAAR1TP53TSHR
SCHEMBL662701 0.77 TSHR (0.39) PNMTTAAR1KCNH2HPGDKMT2A
SCHEMBL13154800 0.77 L3MBTL1 (0.38) PNMTTAAR1KCNH2HPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968720-B2 Secondary amines as renin inhibitors ACTELION PHARMACEUTICALS LTD. (CH) 2011-06-28 US disclosed
US-7968720-B2 Secondary amines as renin inhibitors ACTELION PHARMACEUTICALS LTD. (CH) 2011-06-28 US disclosed
US-20100249163-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2010-09-30 US disclosed
US-20090176823-A1 Secondary Amines as Renin Inhibitors ACTELION PHARMACEUTICALS LTD. (CH) 2009-07-09 US disclosed
US-20090176823-A1 Secondary Amines as Renin Inhibitors ACTELION PHARMACEUTICALS LTD. (CH) 2009-07-09 US disclosed
WO-2009070869-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2009-06-11 WO disclosed
US-20090088457-A1 Primary Amines as Renin Inhibitors ACTELION PHARMACEUTICALS, LTD. (CH) 2009-04-02 US disclosed
US-20090088457-A1 Primary Amines as Renin Inhibitors ACTELION PHARMACEUTICALS, LTD. (CH) 2009-04-02 US disclosed
US-20090062342-A1 AMINES ACTELION PHARMACEUTICALS LTD. (CH) 2009-03-05 US disclosed
US-20090062342-A1 AMINES ACTELION PHARMACEUTICALS LTD. (CH) 2009-03-05 US disclosed
WO-2007102127-A2 NEW AMINES ACTELION PHARMACEUTICALS LTD (CH) 2007-09-13 WO disclosed
WO-2007099509-A2 PRIMARY AMINES AS RENIN INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2007-09-07 WO disclosed
WO-2007088514-A1 SECONDARY AMINES AS RENIN INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2007-08-09 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-20100249163-A1 RENIN INHIBITORS REN, ACE, AGTR1 GPR84 611/4885PTPN7 2576/4885DUSP3 1790/4885
US-20090088457-A1 Primary Amines as Renin Inhibitors REN, ACE, AGTR1 GPR84 722/4885PTPN7 2752/4885DUSP3 3230/4885
US-20090062342-A1 AMINES REN, ACE, MAOA GPR84 1330/4885PTPN7 3843/4885DUSP3 3844/4885
US-20090176823-A1 Secondary Amines as Renin Inhibitors REN, ACE, AGTR1 GPR84 1148/4885PTPN7 3471/4885DUSP3 3717/4885

“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.