SCHEMBL3741044

SCHEMBL3741044

COC(=O)c1cccc2nc(Nc3ccc(Cl)cc3Cl)n(CCCO)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.39
TBXA2R P21731 2/20 0.39
P2RX7 Q99572 1/20 0.39
CNR1 P21554 1/20 0.38
DYRK1A Q13627 1/20 0.37
DYRK1B Q9Y463 1/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
ATM Q13315 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
KCNH2 Q12809 1/20 0.37
TRPC4 Q9UBN4 1/20 0.37
TRPC5 Q9UL62 1/20 0.37
NUDT1 P36639 1/20 0.36
BACE1 P56817 1/20 0.36
P2RX3 P56373 2/20 0.36
PLA2G2A P14555 1/20 0.36
CLK2 P49760 1/20 0.35
CDK9 P50750 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
SCHEMBL3726144 0.86 P2RX7 (0.38) P2RX7CNR1DYRK1ADYRK1BNUDT1
SCHEMBL3746256 0.80 CRHR1 (0.53)
SCHEMBL3752027 0.80 CRHR1 (0.51)
SCHEMBL3754948 0.79 NUDT1 (0.37) P2RX7MAPTIRAK4KCNH2NUDT1
SCHEMBL3726111 0.79 NUDT1 (0.41) P2RX7NPC1MAPTRAB9AIRAK4
SCHEMBL3727607 0.77 MAP2K1 (0.40) P2RX7P2RX3
SCHEMBL3753079 0.77 CRHR1 (0.52)
SCHEMBL3724144 0.76 DYRK1A (0.36) P2RX7CNR1DYRK1ADYRK1B
SCHEMBL3723545 0.76 CRHR1 (0.41) CNR1P2RX3
SCHEMBL3730729 0.76 MRGPRX4 (0.39) MAPTRAB9AATMTRPC4TRPC5

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 7 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

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 DRD2 207/4885TBXA2R 245/4885P2RX7 117/4885
US-20100298287-A1 TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CRH, CRHR1, CRHR2 DRD2 333/4885TBXA2R 342/4885P2RX7 164/4885

“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.