SCHEMBL3752719

SCHEMBL3752719

COC(=O)c1ccc(Cl)c2nc(Nc3ccc(C(N)=O)cc3C)n(CCCO)c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 3/20 0.37
P2RX7 Q99572 2/20 0.37
MAPK14 Q16539 1/20 0.37
TLR7 Q9NYK1 3/20 0.37
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
JAK3 P52333 1/20 0.34
LRRK2 Q5S007 1/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
STING1 Q86WV6 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TLR8 Q9NR97 1/20 0.32
P2RX3 P56373 2/20 0.32
RORC P51449 1/20 0.32
TP53 P04637 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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 0.84 P2RX7 (0.38) CRHR1P2RX7TLR7P2RX3TP53
SCHEMBL3726272 0.83 P2RX3 (0.37) CRHR1P2RX7P2RX3TP53MEN1
SCHEMBL3727607 0.82 MAP2K1 (0.40) P2RX7TLR7ALDH1A1HPGDP2RX3
SCHEMBL3722184 0.81 P2RX7 (0.39) CRHR1P2RX7ALDH1A1HPGDRAB9A
SCHEMBL3733368 0.81 CRHR1 (0.33) CRHR1P2RX7TLR7P2RX3TP53
SCHEMBL3727511 0.80 CRHR1 (0.49) CRHR1TLR7
SCHEMBL3728088 0.80 ALDH1A1 (0.33) CRHR1TLR7ALDH1A1HPGDRAB9A
SCHEMBL3723545 0.80 CRHR1 (0.41) CRHR1TLR7P2RX3
SCHEMBL3748268 0.80 MTNR1A (0.35) CRHR1P2RX7TLR7JAK2TYK2
SCHEMBL3730729 0.79 MRGPRX4 (0.39) CRHR1ALDH1A1RAB9ASMN1; SMN2P2RX3

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 5 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
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 CRHR1 1/4885P2RX7 117/4885MAPK14 1852/4885
US-20100298287-A1 TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CRH, CRHR1, CRHR2 CRHR1 2/4885P2RX7 164/4885MAPK14 2193/4885

“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.