SCHEMBL7709628

SCHEMBL7709628

CCN1CCc2ncc(C)nc2CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
LMNA P02545 6/20 0.46
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46
RAD52 P43351 1/20 0.39
RECQL P46063 1/20 0.39
HSP90AB1 P08238 1/20 0.38
HRH3 Q9Y5N1 4/20 0.37
MAPT P10636 2/20 0.37
CYP1A2 P05177 1/20 0.36
DRD2 P14416 1/20 0.36
KCNH2 Q12809 1/20 0.36
TP53 P04637 1/20 0.35
CHRNA7 P36544 1/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
ALOX15 P16050 1/20 0.35
RAB9A P51151 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
SCHEMBL3761749 0.82 CYP3A4 (0.53) CYP3A4TSHRHSD17B10LMNABLM
Hydrochloric Acid SCHEMBL11068467 0.81 LMNA (0.54) CYP3A4TSHRHSD17B10LMNABLM
Hydrochloric Acid SCHEMBL11075152 0.81 LMNA (0.54) CYP3A4TSHRHSD17B10LMNABLM
SCHEMBL18684040 0.78 CYP3A4 (0.46) CYP3A4TSHRHSD17B10LMNABLM
SCHEMBL15316128 0.77
SCHEMBL3760826 0.77 HTR2C (0.43) CYP3A4TSHRHSD17B10LMNABLM
SCHEMBL14763953 0.73 NPC1 (0.43) TSHRMAPTNPC1POLBRAB9A
SCHEMBL4136886 0.73 NPC1 (0.48) CYP3A4MAPTCYP1A2TP53NPC1
SCHEMBL11093911 0.73 RAD52 (0.49) CYP3A4TSHRHSD17B10LMNABLM
SCHEMBL18563799 0.72 CYP2C19 (0.40) TSHRHSD17B10LMNAHRH3MAPT

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
EP-2400961-B1 MEDICINE COMBINATIONS CONTAINING PDE4 INHIBITORS AND NSAIDS BOEHRINGER INGELHEIM INT (DE) 2017-11-22 EP disclosed
EP-2205609-B1 HETEROCYCLE SUBSTITUTED PIPERAZINO DIHYDROTHIENO PYRIMIDINES BOEHRINGER INGELHEIM INT (DE) 2017-03-29 EP disclosed
US-8877758-B2 Combinations of medicaments, containing PDE4-inhibitors and EP4-receptor-antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-04 US disclosed
US-8877758-B2 Combinations of medicaments, containing PDE4-inhibitors and EP4-receptor-antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-04 US disclosed
US-8759326-B2 Drug combinations containing PDE4 inhibitors and NSAIDs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-24 US disclosed
US-20140031343-A1 DRUG COMBINATIONS CONTAINING PDE4 INHIBITORS AND NSAIDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-30 US disclosed
US-20130237527-A1 COMBINATIONS OF MEDICAMENTS, CONTAINING PDE4-INHIBITORS AND EP4-RECEPTOR-ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-09-12 US disclosed
US-20130237527-A1 COMBINATIONS OF MEDICAMENTS, CONTAINING PDE4-INHIBITORS AND EP4-RECEPTOR-ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-09-12 US disclosed
US-20120028932-A1 DRUG COMBINATIONS CONTAINING PDE4 INHIBITORS AND NSAIDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-02 US disclosed
WO-2011124524-A1 COMBINATIONS OF MEDICAMENTS, CONTAINING PDE4 INHIBITORS AND EP4 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-13 WO disclosed
WO-2010097332-A1 DRUG COMBINATIONS CONTAINING PDE4 INHIBITORS AND NSAIDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 WO disclosed
WO-2009050242-A2 HETEROCYCLE-SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-23 WO 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

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-20140031343-A1 DRUG COMBINATIONS CONTAINING PDE4 INHIBITORS AND NSAIDS PTGER4, PDE4A, PDE12 CYP3A4 33/4885TSHR 2548/4885HSD17B10 710/4885
US-20130237527-A1 COMBINATIONS OF MEDICAMENTS, CONTAINING PDE4-INHIBITORS AND EP4-RECEPTOR-ANTAGONISTS PTGER4, PTGER1, PTGER3 CYP3A4 201/4885TSHR 1220/4885HSD17B10 2321/4885
US-20120028932-A1 DRUG COMBINATIONS CONTAINING PDE4 INHIBITORS AND NSAIDS PTGER4, PDE4A, PDE3B CYP3A4 47/4885TSHR 2766/4885HSD17B10 830/4885

“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.