SCHEMBL8049469

SCHEMBL8049469

CN1CCC[C@H]1CNC(=O)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.67
CTSB P07858 1/20 0.67
CTSK P43235 1/20 0.67
CHRNB2 P17787 1/20 0.60
CHRNA5 P30532 1/20 0.60
CHRNA7 P36544 1/20 0.60
CHRNA4 P43681 1/20 0.60
HTR1A P08908 2/20 0.56
HCRTR1 O43613 1/20 0.55
HCRTR2 O43614 1/20 0.55
DPP4 P27487 3/20 0.55
RAB9A P51151 1/20 0.55
MCHR2 Q969V1 1/20 0.55
MCHR1 Q99705 1/20 0.55
CCR2 P41597 2/20 0.53
HPGD P15428 1/20 0.52
PREP P48147 1/20 0.52
FAP Q12884 1/20 0.52
KDM4E B2RXH2 1/20 0.50
PKM P14618 1/20 0.50

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
SCHEMBL31188523 0.91 CTSL (0.59) CTSLCTSBCTSKCHRNB2CHRNA5
SCHEMBL13118285 0.86 ACKR3 (0.61) CTSLCTSBCTSKCHRNB2CHRNA5
SCHEMBL13746889 0.86 HSD17B10 (0.52) CTSLCTSBCTSKCHRNB2CHRNA5
SCHEMBL17918744 0.85 HPGD (0.59) CTSLCTSBCTSKHTR1ARAB9A
SCHEMBL4341169 0.85 MCHR1 (0.69) CTSLCTSBCTSKRAB9AMCHR2
SCHEMBL5566878 0.84 CTSL (0.66) CTSLCTSBCTSKHTR1AHCRTR1
SCHEMBL21637875 0.83 IKBKB (0.49) CTSLCTSBCTSKCHRNB2CHRNA5
SCHEMBL23507512 0.83 CTSL (0.64) CTSLCTSBCTSKHTR1AHCRTR1
SCHEMBL14232729 0.83 CTSL (0.64) CTSLCTSBCTSKHTR1AHCRTR1
SCHEMBL17888291 0.83 NPSR1 (0.57) CTSLCTSBCTSKHCRTR1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150038501-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. 2015-02-05 US disclosed
US-8865756-B2 Inhibitors of HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2014-10-21 US disclosed
US-8653282-B2 Preparation of dihydrothieno [3,2-D] pyrimidines and intermediates used therein BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-18 US disclosed
US-20130296311-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2013-11-07 US disclosed
US-20120115855-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2012-05-10 US disclosed
US-8114878-B2 6,7-dihydrothieno[3,2-d]pyrimidine for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-14 US disclosed
US-8114878-B2 6,7-dihydrothieno[3,2-d]pyrimidine for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-14 US disclosed
US-20100222585-A1 PREPARATION OF DIHYDROTHIENO [3, 2-D] PYRIMIDINES AND INTERMEDIATES USED THEREIN BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 US disclosed
WO-2009052138-A1 PREPARATION OF DIHYDROTHIENO [3, 2-D] PYRIMIDINES AND INTERMEDIATES USED THEREIN BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-23 WO disclosed
US-20080096882-A1 PDE4 (Phosphodiesterase) inhibitors; respiratory diseases, gastrointestinal diseases, inflammation the joints, skin or eyes, cancers, or diseases of the peripheral or central nervous system BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-04-24 US disclosed
WO-2007118793-A1 DIHYDROTHIENOPYRIMIDINE FOR TREATING INFLAMMATORY DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-25 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 (5 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-20130296311-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 CTSL 1199/4885CTSB 1137/4885CTSK 1704/4885
US-20080096882-A1 PDE4 (Phosphodiesterase) inhibitors; respiratory diseases, gastrointestinal diseases, inflammation the joints, skin or eyes, cancers, or diseases of the peripheral or central nervous system PDE4A, PDE4B, PDE12 CTSL 3672/4885CTSB 2878/4885CTSK 3573/4885
US-20100222585-A1 PREPARATION OF DIHYDROTHIENO [3, 2-D] PYRIMIDINES AND INTERMEDIATES USED THEREIN DPYD, TYMS, DHFR CTSL 4749/4885CTSB 4617/4885CTSK 4505/4885
US-20150038501-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 CTSL 1199/4885CTSB 1137/4885CTSK 1704/4885
US-20120115855-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 CTSL 1199/4885CTSB 1137/4885CTSK 1704/4885

“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.