SCHEMBL4637796

SCHEMBL4637796

CN(C)Cc1onc(-c2ccccc2Cl)c1C(=O)c1nnn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1N1CCOCC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 3/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
ALDH1A1 P00352 4/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GPBAR1 Q8TDU6 2/20 0.38
NLRP3 Q96P20 1/20 0.37
TACR1 P25103 6/20 0.37
TSHR P16473 1/20 0.35
RAF1 P04049 1/20 0.35
BRAF P15056 1/20 0.35
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
TACR3 P29371 2/20 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
SCHEMBL4637876 0.92 EPAS1 (0.39) EPAS1GAAMAPTALDH1A1TDP1
SCHEMBL4637694 0.92 EPAS1 (0.39) EPAS1GAAMAPTALDH1A1TDP1
SCHEMBL4638045 0.91 EPAS1 (0.39) EPAS1GAAMAPTALDH1A1TDP1
SCHEMBL4637845 0.89 EPAS1 (0.41) EPAS1GAAMAPTALDH1A1TDP1
SCHEMBL4707874 0.87 EPAS1 (0.39) EPAS1GAAMAPTALDH1A1TDP1
SCHEMBL4638545 0.87 ALDH1A1 (0.38) EPAS1GAAMAPTALDH1A1TDP1
SCHEMBL4639395 0.87 EPAS1 (0.40) EPAS1GAAMAPTALDH1A1TDP1
SCHEMBL4638634 0.85 ALDH1A1 (0.39) EPAS1GAAMAPTALDH1A1TDP1
SCHEMBL4638837 0.84 ALDH1A1 (0.38) EPAS1GAAMAPTALDH1A1TDP1
SCHEMBL4637761 0.84 ALDH1A1 (0.38) EPAS1GAAMAPTALDH1A1TDP1

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
EP-1501808-B1 TACHYKININ RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-07-02 EP disclosed
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 2885/4885GAA 1920/4885MAPT 3592/4885

“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.