SCHEMBL4638014

SCHEMBL4638014

CN(C)CCN(C)c1c(C(=O)c2c(-c3ccccc3Cl)noc2CO)nnn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 10/20 0.40
EPAS1 Q99814 2/20 0.38
TACR1 P25103 3/20 0.38
ALDH1A1 P00352 1/20 0.36
NLRP3 Q96P20 1/20 0.36
TACR3 P29371 2/20 0.36
MAPT P10636 2/20 0.34
RECQL P46063 1/20 0.34
PLAU P00749 1/20 0.34
ELANE P08246 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 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
SCHEMBL4707134 0.87 EPAS1 (0.40) GPBAR1EPAS1TACR1ALDH1A1NLRP3
SCHEMBL6471887 0.85 TACR1 (0.35) GPBAR1EPAS1TACR1ALDH1A1TACR3
SCHEMBL4706457 0.84 ALDH1A1 (0.44) GPBAR1EPAS1TACR1ALDH1A1NLRP3
SCHEMBL4637843 0.81 GPBAR1 (0.38) GPBAR1EPAS1TACR1ALDH1A1NLRP3
SCHEMBL4637876 0.81 EPAS1 (0.39) GPBAR1EPAS1TACR1ALDH1A1NLRP3
SCHEMBL4637937 0.80 IDH1 (0.43) GPBAR1EPAS1ALDH1A1MAPTRECQL
SCHEMBL4639427 0.80 EPAS1 (0.38) GPBAR1EPAS1ALDH1A1NLRP3MAPT
SCHEMBL4707071 0.79 TACR1 (0.40) GPBAR1EPAS1TACR1TACR3MAPT
SCHEMBL4637796 0.79 EPAS1 (0.39) GPBAR1EPAS1TACR1ALDH1A1NLRP3
SCHEMBL4637747 0.77 EPAS1 (0.38) GPBAR1EPAS1TACR1ALDH1A1NLRP3

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 3 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 claimed
US-7179804-B2 Tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 2007-02-20 US claimed
US-20050239776-A1 Tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 2005-10-27 US claimed

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 GPBAR1 101/4885EPAS1 2885/4885TACR1 2/4885

“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.