Sugi Predict

Sugi Predict / Compounds / SCHEMBL4637694

SCHEMBL4637694

SCHEMBL4637694

O=C(c1nnn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1N1CCOCC1)c1c(-c2ccccc2Cl)noc1CCl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPAS1 Q99814 3/20 0.39
▸ MAPT P10636 3/20 0.39
▸ GAA P10253 2/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ NLRP3 Q96P20 1/20 0.36
▸ GPBAR1 Q8TDU6 1/20 0.35
▸ TSHR P16473 3/20 0.35
▸ LMNA P02545 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ IDO1 P14902 1/20 0.33
▸ TDO2 P48775 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ RECQL P46063 1/20 0.33

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
SCHEMBL4637876 0.94 EPAS1 (0.39) EPAS1MAPTGAAALDH1A1TDP1
SCHEMBL4638045 0.93 EPAS1 (0.39) EPAS1MAPTGAAALDH1A1TDP1
SCHEMBL4637796 0.92 EPAS1 (0.39) EPAS1MAPTGAAALDH1A1TDP1
SCHEMBL4637845 0.90 EPAS1 (0.41) EPAS1MAPTGAAALDH1A1TDP1
SCHEMBL4707874 0.90 EPAS1 (0.39) EPAS1MAPTGAAALDH1A1TDP1
SCHEMBL4638545 0.88 ALDH1A1 (0.38) EPAS1MAPTGAAALDH1A1TDP1
SCHEMBL4639395 0.88 EPAS1 (0.40) EPAS1MAPTGAAALDH1A1TDP1
SCHEMBL4638634 0.86 ALDH1A1 (0.39) EPAS1MAPTGAAALDH1A1TDP1
SCHEMBL4638837 0.85 ALDH1A1 (0.38) EPAS1MAPTGAAALDH1A1TDP1
SCHEMBL4637761 0.85 ALDH1A1 (0.38) EPAS1MAPTGAAALDH1A1TDP1

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
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-7179804-B2 Tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 2007-02-20 — — US 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 2885/4885MAPT 3592/4885GAA 1920/4885

“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.