SCHEMBL2612166

SCHEMBL2612166

Cc1ccc(-n2cccc2)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.47
ALDH1A1 P00352 4/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
KDM4E B2RXH2 3/20 0.40
LMNA P02545 2/20 0.40
TP53 P04637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
POLB P06746 2/20 0.39
HTT P42858 2/20 0.39
MAPT P10636 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MCOLN3 Q8TDD5 1/20 0.38
HPGD P15428 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
SCHEMBL5270640 0.82 HSD17B10 (0.48) NPSR1ALDH1A1CYP1A2CYP2C19KDM4E
SCHEMBL29827105 0.82 HSD17B10 (0.48) NPSR1ALDH1A1CYP1A2CYP2C19KDM4E
SCHEMBL11826455 0.78 ALDH1A1 (0.56) NPSR1ALDH1A1CYP1A2CYP2C19KDM4E
SCHEMBL9043922 0.78 HPGD (0.41) NPSR1ALDH1A1CYP1A2CYP2C19KDM4E
SCHEMBL7012583 0.78 METAP2 (0.44) NPSR1ALDH1A1CYP1A2CYP2C19KDM4E
SCHEMBL23685619 0.78 ESR2 (0.51) CYP1A2CYP2C19KDM4ELMNATDP1
SCHEMBL10915016 0.78 KDM4E (0.59) ALDH1A1CYP1A2CYP2C19KDM4ELMNA
SCHEMBL2592892 0.78 TRPA1 (0.48) NPSR1ALDH1A1KDM4ELMNATP53
SCHEMBL9042286 0.78 ALDH1A1 (0.39) NPSR1ALDH1A1CYP1A2CYP2C19KDM4E
SCHEMBL25836027 0.76 NPSR1 (0.46) NPSR1ALDH1A1KDM4ETP53TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230167067-A1 PHOTOREDOX-CATALYZED DIRECT C-H FUNCTIONALIZATION OF ARENES UNIV NORTH CAROLINA CHAPEL HILL (US) 2023-06-01 US disclosed
US-9610317-B2 4-amino-4-oxobutanoyl peptides as inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2017-04-04 US disclosed
US-20160082069-A1 4-AMINO-4-OXOBUTANOYL PEPTIDES AS INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS, INC. 2016-03-24 US disclosed
US-9233136-B2 4-amino-4-oxobutanoyl peptides as inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2016-01-12 US disclosed
US-9133115-B2 4-amino-4-oxobutanoyl peptides as inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2015-09-15 US disclosed
US-20140328796-A1 4-AMINO-4-OXOBUTANOYL PEPTIDES AS INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS, INC. 2014-11-06 US disclosed
US-8785378-B2 Macrocyclic peptides as inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2014-07-22 US disclosed
US-20140113890-A1 NEW 4-AMINO-4-OXOBUTANOYL PEPTIDES AS INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS, INC. (US) 2014-04-24 US disclosed
US-8445430-B2 Cyclic carboxamide compounds and analogues thereof as of hepatitis C virus ACHILLION PHARMACEUTICALS, INC. (US) 2013-05-21 US disclosed
US-8163693-B2 Urea-containing peptides as inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2012-04-24 US disclosed
US-20110070168-A1 MACROCYCLIC PEPTIDES AS INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS, INC. (US) 2011-03-24 US disclosed
US-7906619-B2 4-amino-4-oxobutanoyl peptides as inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2011-03-15 US disclosed
US-20100124545-A1 CYCLIC CARBOXAMIDE COMPOUNDS AND ANALOGUES THEREOF AS OF HEPATITIS C VIRUS ACHILLION PHARMACEUTICALS, INC. (US) 2010-05-20 US disclosed
US-20090082261-A1 UREA-CONTAINING PEPTIDES AS INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS, INC. (US) 2009-03-26 US disclosed
US-20090048297-A1 4-AMINO-4-OXOBUTANOYL PEPTIDES AS INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS (US) 2009-02-19 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 (8 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-20110070168-A1 MACROCYCLIC PEPTIDES AS INHIBITORS OF VIRAL REPLICATION VIP, ZC3HAV1, ZC3HAV1L NPSR1 1635/4885ALDH1A1 4490/4885CYP1A2 4526/4885
US-20090082261-A1 UREA-CONTAINING PEPTIDES AS INHIBITORS OF VIRAL REPLICATION VIP, SLC14A1, RPL35 NPSR1 2547/4885ALDH1A1 4465/4885CYP1A2 4772/4885
US-20160082069-A1 4-AMINO-4-OXOBUTANOYL PEPTIDES AS INHIBITORS OF VIRAL REPLICATION ZC3HAV1, VIP, ZC3HAV1L NPSR1 3619/4885ALDH1A1 3885/4885CYP1A2 4547/4885
US-20140113890-A1 NEW 4-AMINO-4-OXOBUTANOYL PEPTIDES AS INHIBITORS OF VIRAL REPLICATION ZC3HAV1, VIP, ZC3HAV1L NPSR1 811/4885ALDH1A1 4204/4885CYP1A2 4416/4885
US-20140328796-A1 4-AMINO-4-OXOBUTANOYL PEPTIDES AS INHIBITORS OF VIRAL REPLICATION VIP, ZC3HAV1, CCL5 NPSR1 1495/4885ALDH1A1 4010/4885CYP1A2 4528/4885
US-20090048297-A1 4-AMINO-4-OXOBUTANOYL PEPTIDES AS INHIBITORS OF VIRAL REPLICATION VIP, ZC3HAV1, CCL5 NPSR1 1495/4885ALDH1A1 4010/4885CYP1A2 4528/4885
US-20100124545-A1 CYCLIC CARBOXAMIDE COMPOUNDS AND ANALOGUES THEREOF AS OF HEPATITIS C VIRUS CPS1, CCKAR, C1R NPSR1 1279/4885ALDH1A1 2673/4885CYP1A2 1423/4885
US-20230167067-A1 PHOTOREDOX-CATALYZED DIRECT C-H FUNCTIONALIZATION OF ARENES PPOX, AOC2, AOC3 NPSR1 761/4885ALDH1A1 495/4885CYP1A2 81/4885

“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.