SCHEMBL10315757

SCHEMBL10315757

Cc1ccc2c(C(C)(C)C)ccnc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.51
ADRA1D P25100 4/20 0.51
ADRA1A P35348 4/20 0.51
ADRA1B P35368 4/20 0.51
ALDH1A1 P00352 2/20 0.43
CHEK1 O14757 1/20 0.42
PARP1 P09874 1/20 0.42
PIM1 P11309 1/20 0.42
RPS6KA3 P51812 1/20 0.42
UHRF1 Q96T88 1/20 0.38
CCR1 P32246 1/20 0.38
CCR5 P51681 1/20 0.38
CCR8 P51685 1/20 0.38
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
LMNA P02545 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
SCHEMBL23479555 0.85 HTR1A (0.51) HTR1AADRA1DADRA1AADRA1BALDH1A1
SCHEMBL4548621 0.81 FGFR2 (0.42) ALDH1A1AAK1FGFR2
SCHEMBL2608428 0.80 NR4A2 (0.56) CCR1MEN1KMT2ALMNAMAPT
SCHEMBL14549628 0.80 FERMT2 (0.45) NSD3AAK1PTGS1PTGS2
SCHEMBL14289086 0.79 SMN1; SMN2 (0.36) HTR1AADRA1DADRA1AADRA1BCCR1
SCHEMBL2608416 0.77 ADRB2 (0.49) PARP1NOS3NOS2AAK1
SCHEMBL2608427 0.77 HTR1A (0.55) HTR1AADRA1DADRA1AADRA1BCCR1
SCHEMBL22210761 0.76 FGFR2 (0.35) HTR1AADRA1DADRA1AADRA1BLMNA
SCHEMBL873159 0.76 HTR1A (0.58) HTR1AADRA1DADRA1AADRA1BALDH1A1
SCHEMBL21652114 0.76 MAPK1 (0.37) HTR1AADRA1DADRA1AADRA1BALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12030853-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2024-07-09 US disclosed
US-12030853-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2024-07-09 US disclosed
US-20210171461-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION 2021-06-10 US disclosed
US-20180118717-A1 Substituted Quinazoline Derivatives as DNA Methyltransferase Inhibitors CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2018-05-03 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-20160229834-A1 QUINAZOLINE DERIVATIVES AND THEIR USE AS DNA METHYLTRANSFERASE INHIBITORS PIERRE FABRE MEDICAMENT (FR) 2016-08-11 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-20130116169-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-09 US disclosed
US-8278327-B2 PDE10 inhibitors and related compositions and methods OMEROS CORPORATION (US) 2012-10-02 US disclosed
US-8217048-B2 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-10 US disclosed
US-20110104115-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMACEUTICALS INCOROPRATED (US) 2011-05-05 US disclosed
US-20110070168-A1 MACROCYCLIC PEPTIDES AS INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS, INC. (US) 2011-03-24 US disclosed
US-20110021509-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION (US) 2011-01-27 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-20110070168-A1 MACROCYCLIC PEPTIDES AS INHIBITORS OF VIRAL REPLICATION VIP, ZC3HAV1, ZC3HAV1L HTR1A 4326/4885ADRA1D 3418/4885ADRA1A 3939/4885
US-20130116169-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE SERPINB1, PRSS1, SPINT2 HTR1A 2529/4885ADRA1D 4625/4885ADRA1A 4554/4885
US-20160082069-A1 4-AMINO-4-OXOBUTANOYL PEPTIDES AS INHIBITORS OF VIRAL REPLICATION ZC3HAV1, VIP, ZC3HAV1L HTR1A 4760/4885ADRA1D 4271/4885ADRA1A 4398/4885
US-20140113890-A1 NEW 4-AMINO-4-OXOBUTANOYL PEPTIDES AS INHIBITORS OF VIRAL REPLICATION ZC3HAV1, VIP, ZC3HAV1L HTR1A 3428/4885ADRA1D 2782/4885ADRA1A 3225/4885
US-20140328796-A1 4-AMINO-4-OXOBUTANOYL PEPTIDES AS INHIBITORS OF VIRAL REPLICATION VIP, ZC3HAV1, CCL5 HTR1A 4202/4885ADRA1D 2707/4885ADRA1A 3212/4885
US-20160229834-A1 QUINAZOLINE DERIVATIVES AND THEIR USE AS DNA METHYLTRANSFERASE INHIBITORS DNMT1, DNMT3A, TPMT HTR1A 2733/4885ADRA1D 3354/4885ADRA1A 3039/4885
US-20180118717-A1 Substituted Quinazoline Derivatives as DNA Methyltransferase Inhibitors DNMT1, DNMT3A, DNMT3B HTR1A 2853/4885ADRA1D 3223/4885ADRA1A 2917/4885
US-20110104115-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE SERPINB1, PRSS1, SPINT2 HTR1A 2529/4885ADRA1D 4625/4885ADRA1A 4554/4885
US-12030853-B2 MASP-2 inhibitors and methods of use MASP2, METAP2, SPINT2 HTR1A 4676/4885ADRA1D 4597/4885ADRA1A 4753/4885
US-20110021509-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS PDE10A, PDE9A, PDE7A HTR1A 118/4885ADRA1D 417/4885ADRA1A 336/4885
US-20210171461-A1 MASP-2 INHIBITORS AND METHODS OF USE MASP2, METAP2, SPINT2 HTR1A 4676/4885ADRA1D 4597/4885ADRA1A 4753/4885

“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.