SCHEMBL3665818

SCHEMBL3665818

Cc1cc(N2CCCC2)ncc1[N+](=O)[O-]

nearest known ligand 0.76

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.76
ALDH1A1 P00352 8/20 0.76
CYP1A2 P05177 3/20 0.76
CYP2C19 P33261 3/20 0.76
CYP2C9 P11712 2/20 0.76
HPGD P15428 1/20 0.54
LMNA P02545 4/20 0.51
ALOX12 P18054 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
MAPK1 P28482 3/20 0.49
HTT P42858 1/20 0.49
POLB P06746 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
GAA P10253 1/20 0.41

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
SCHEMBL30954839 0.97 ALDH1A1 (0.76) MAPTALDH1A1CYP1A2CYP2C19CYP2C9
SCHEMBL3748859 0.89 ALDH1A1 (0.63) MAPTALDH1A1CYP1A2CYP2C19CYP2C9
SCHEMBL14938605 0.88 MAPT (0.72) MAPTALDH1A1CYP1A2CYP2C19CYP2C9
SCHEMBL22652046 0.87 ALDH1A1 (1.00) MAPTALDH1A1CYP1A2CYP2C19CYP2C9
SCHEMBL28471533 0.87 ALDH1A1 (0.71) MAPTALDH1A1CYP1A2CYP2C19CYP2C9
SCHEMBL16178365 0.83 ALDH1A1 (0.66) MAPTALDH1A1CYP1A2CYP2C19CYP2C9
SCHEMBL16178366 0.83 ALDH1A1 (0.66) MAPTALDH1A1CYP1A2CYP2C19CYP2C9
SCHEMBL12489315 0.81 LMNA (0.55) MAPTALDH1A1CYP1A2CYP2C19CYP2C9
SCHEMBL15821976 0.81 ALDH1A1 (0.63) MAPTALDH1A1CYP1A2CYP2C19CYP2C9
SCHEMBL1099756 0.81 ALDH1A1 (0.58) MAPTALDH1A1CYP1A2CYP2C19CYP2C9

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-8901141-B2 Tricyclic compounds having corticotropin-releasing factor antagonistic activity and pharmaceutical compositions containing them TAKEDA PHARMACEUTICAL COMPANY, LIMITED (JP) 2014-12-02 US 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-8785460-B2 Tricyclic compounds and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-07-22 US disclosed
US-20100298287-A1 TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-11-25 US 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
US-20090186879-A1 TRICYCLIC COMPOUNDS AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-07-23 US disclosed
WO-2005035526-A1 BICYCLIC COMPOUNDS AND THEIR THERAPEUTIC USE ARGENTA DISCOVERY LTD. (GB) 2005-04-21 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 (2 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-20090186879-A1 TRICYCLIC COMPOUNDS AND USE THEREOF CRHR1, CRHR2, HCRTR1 MAPT 4205/4885ALDH1A1 2741/4885CYP1A2 320/4885
US-20100298287-A1 TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CRH, CRHR1, CRHR2 MAPT 4194/4885ALDH1A1 4352/4885CYP1A2 816/4885

“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.