SCHEMBL3671331

SCHEMBL3671331

Cc1cnc(C)c(C)c1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 8/20 0.44
NOS2 P35228 8/20 0.44
NOS1 P29475 6/20 0.44
POLB P06746 1/20 0.40
KDM4E B2RXH2 2/20 0.38
KMT2A Q03164 1/20 0.38
UHRF1 Q96T88 1/20 0.37
CCR1 P32246 1/20 0.37
CCR5 P51681 1/20 0.37
CCR8 P51685 1/20 0.37
MAPT P10636 2/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NUDT1 P36639 1/20 0.31
AGXT P21549 1/20 0.31

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
SCHEMBL14353700 0.83 NOS3 (0.44) NOS3NOS2NOS1KDM4EKMT2A
SCHEMBL5809638 0.81 NOS3 (0.46) NOS3NOS2NOS1POLBKDM4E
SCHEMBL3840770 0.81 NOS3 (0.42) NOS3NOS2NOS1POLBKDM4E
Ammonia Solution, Strong SCHEMBL29016866 0.79 NOS3 (0.44) NOS3NOS2NOS1POLBKDM4E
SCHEMBL3190363 0.78 UHRF1 (0.42) NOS3NOS2NOS1KDM4EKMT2A
SCHEMBL25604971 0.77 NOS3 (0.39) NOS3NOS2NOS1POLBKMT2A
SCHEMBL9455862 0.77 NOS3 (0.39) NOS3NOS2NOS1KDM4EKMT2A
SCHEMBL7453220 0.77 NOS3 (0.39) NOS3NOS2NOS1KDM4EKMT2A
SCHEMBL874915 0.77 CCR1 (0.46) NOS3NOS2NOS1CCR1CCR5
Ammonia Solution, Strong SCHEMBL28562820 0.74 CCR1 (0.44) NOS3NOS2NOS1CCR1CCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111032029-A Vascular adhesion protein-1 inhibitors for the prevention or treatment of migraine 普罗克斯马根有限责任公司 2020-04-17 CN claimed
CN-105189494-B Imidazo[4,5-c]pyridine and pyrrolo[2,3-c]pyridine derivatives as SSAO inhibitors 普罗克西梅根有限公司 2017-04-26 CN claimed
CN-105189494-A Imidazo[4,5-c]pyridine and pyrrolo[2,3-c]pyridine derivatives as SSAO inhibitors PROXIMAGEN LTD 2015-12-23 CN claimed
CN-101981031-A Tricyclic compounds having corticotropin-releasing factor antagonistic activity and pharmaceutical compositions containing them TAKEDA PHARMACEUTICAL 2011-02-23 CN claimed
CN-105916503-B Heteroaryl compounds and uses thereof 米伦纽姆医药公司 2020-04-14 CN disclosed
EP-2500348-B1 PHOSPHOLIPID DERIVATIVE AND PH-RESPONSIVE LIPOSOMES NOF CORP (JP) 2017-08-23 EP disclosed
CN-105916503-A Heteroaryls and uses thereof 米伦纽姆医药公司 2016-08-31 CN disclosed
CN-105189494-A Imidazo[4,5-c]pyridine and pyrrolo[2,3-c]pyridine derivatives as SSAO inhibitors PROXIMAGEN LTD 2015-12-23 CN disclosed
CN-104125946-A 6-aminopyridine-3-ol derivatives or pharmaceutically acceptable salts thereof, and pharmaceutical composition containing same as active ingredients for preventing or treating diseases caused by angiogenesis UNIV YEUNGNAM IACF 2014-10-29 CN disclosed
EP-2240485-B1 TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM TAKEDA PHARMACEUTICAL (JP) 2014-10-15 EP disclosed
US-8445712-B2 Phospholipid derivative and pH-responsive liposomes NOF CORPORATION (JP) 2013-05-21 US disclosed
US-20120258165-A1 PHOSPHOLIPID DERIVATIVE AND PH-RESPONSIVE LIPOSOMES OSAKA PREFECTURE UNIVERSITY PUBLIC CORPORATION (JP) 2012-10-11 US disclosed
EP-2500348-A1 PHOSPHOLIPID DERIVATIVE AND PH-RESPONSIVE LIPOSOMES NOF Corporation (JP) 2012-09-19 EP disclosed
CN-101981031-A Tricyclic compounds having corticotropin-releasing factor antagonistic activity and pharmaceutical compositions containing them TAKEDA PHARMACEUTICAL 2011-02-23 CN disclosed
EP-2240485-A1 TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Takeda Pharmaceutical Company Limited (JP) 2010-10-20 EP disclosed
WO-2009093747-A1 TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-07-30 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 (1 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-20120258165-A1 PHOSPHOLIPID DERIVATIVE AND PH-RESPONSIVE LIPOSOMES PHOSPHO1, SGMS1, PLTP NOS3 2740/4885NOS2 2227/4885NOS1 2157/4885

“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.