SCHEMBL8050286

SCHEMBL8050286

CCC(=O)NC[C@@H]1CCCN1C

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.46
ALDH1A1 P00352 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
HTT P42858 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
DRD2 P14416 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNA5 P30532 1/20 0.39
CHRNA7 P36544 1/20 0.39
CHRNA4 P43681 1/20 0.39

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
SCHEMBL21661030 1.00 MTNR1A (0.46) MTNR1AALDH1A1L3MBTL1HTTPDE3B
SCHEMBL15934293 1.00 MTNR1A (0.46) MTNR1AALDH1A1L3MBTL1HTTPDE3B
SCHEMBL20905584 0.95 MTNR1A (0.45) MTNR1AALDH1A1L3MBTL1
SCHEMBL11240147 0.84 OPRM1 (0.46) ALDH1A1L3MBTL1HTTCHRNB2CHRNA5
SCHEMBL12156865 0.83 ACKR3 (0.52) MTNR1AALDH1A1PDE3BPDE3A
SCHEMBL29358366 0.82 CHRNB2 (0.44) ALDH1A1L3MBTL1CHRNB2CHRNA5CHRNA7
SCHEMBL8320704 0.82 FAP (0.44) MTNR1AALDH1A1L3MBTL1CHRNB2CHRNA5
SCHEMBL12506716 0.82 FAP (0.44) MTNR1AALDH1A1L3MBTL1CHRNB2CHRNA5
SCHEMBL8048160 0.82 ALDH1A1 (0.39) ALDH1A1L3MBTL1HTTPDE3BPDE3A
SCHEMBL9921659 0.81 ALDH1A1 (0.44) MTNR1AALDH1A1L3MBTL1HTTALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-20110312933-A1 OXYINDOLE DERIVATIVES WITH MOTILIN RECEPTOR AGONISTIC ACTIVITY RAQUALIA PHARMA INC. (JP) 2011-12-22 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 (3 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-20110312933-A1 OXYINDOLE DERIVATIVES WITH MOTILIN RECEPTOR AGONISTIC ACTIVITY GPR68, GPR88, GPR52 MTNR1A 41/4885ALDH1A1 2947/4885L3MBTL1 4848/4885
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 MTNR1A 1632/4885ALDH1A1 396/4885L3MBTL1 3639/4885
US-20100222585-A1 PREPARATION OF DIHYDROTHIENO [3, 2-D] PYRIMIDINES AND INTERMEDIATES USED THEREIN DPYD, TYMS, DHFR MTNR1A 2880/4885ALDH1A1 382/4885L3MBTL1 4321/4885

“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.