SCHEMBL4638855

SCHEMBL4638855

O=C(c1cn[nH]c1-c1ccccc1Cl)c1nnn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1Cl

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 1/20 0.50
HSP90AA1 P07900 2/20 0.43
HSP90AB1 P08238 2/20 0.43
TACR1 P25103 1/20 0.41
DCAF1 Q9Y4B6 2/20 0.38
GPBAR1 Q8TDU6 7/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
GRM2 Q14416 1/20 0.36
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL4638586 0.87 TACR1 (0.42) EPAS1TACR1GPBAR1GRM2
SCHEMBL4639409 0.86 TACR1 (0.39) EPAS1TACR1GPBAR1GRM2HTT
SCHEMBL4637956 0.77 ALDH1A1 (0.46) EPAS1TACR1GPBAR1POLBGRM2
SCHEMBL4638510 0.76 USP2 (0.40) EPAS1TACR1GPBAR1GRM2HTT
SCHEMBL4638919 0.76 TACR1 (0.48) TACR1GPBAR1POLBGRM2
SCHEMBL5797524 0.76 ALDH1A1 (0.50) TACR1GPBAR1POLBGRM2HTT
SCHEMBL4707134 0.76 EPAS1 (0.40) EPAS1TACR1GPBAR1KMT2AGRM2
SCHEMBL4705059 0.76 TACR1 (0.36) EPAS1TACR1GPBAR1GRM2AKR1C3
SCHEMBL4706712 0.74 TP53 (0.52) MEN1POLBKMT2ALMNAHTT
SCHEMBL4637774 0.74 TACR1 (0.41) TACR1GPBAR1GRM2AKR1C3AKR1C2

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
EP-1501808-B1 TACHYKININ RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-07-02 EP disclosed
US-7179804-B2 Tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 2007-02-20 US disclosed
US-20050239776-A1 Tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 2005-10-27 US disclosed
EP-1501808-A1 TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-02-02 EP disclosed
WO-2003091227-A1 TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2003-11-06 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-20050239776-A1 Tachykinin receptor antagonists TACR2, TACR1, PROKR1 EPAS1 2885/4885HSP90AA1 2154/4885HSP90AB1 2145/4885

“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.