SCHEMBL4637744

SCHEMBL4637744

O=C(c1nnn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1-c1ccccc1)c1c(-c2ccccc2Cl)noc1CNCCN1CCOCC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 4/20 0.40
TACR3 P29371 3/20 0.40
CCR2 P41597 1/20 0.40
TSHR P16473 4/20 0.37
NPC1 O15118 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 2/20 0.36
TRPV4 Q9HBA0 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
RECQL P46063 2/20 0.35
MAPT P10636 1/20 0.35
CACNA1G O43497 1/20 0.35
EPAS1 Q99814 1/20 0.35
EPHX2 P34913 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
SCHEMBL6471887 0.91 TACR1 (0.35) TACR1TACR3CCR2TSHRNPC1
SCHEMBL4706457 0.84 ALDH1A1 (0.44) TACR1TSHRALDH1A1RECQLMAPT
SCHEMBL4638603 0.81 ALDH1A1 (0.44) TACR1TSHRALDH1A1KMT2ARECQL
SCHEMBL4638045 0.80 EPAS1 (0.39) TACR1TSHRALDH1A1LMNAKMT2A
SCHEMBL4637783 0.79 TACR1 (0.41) TACR1TSHRALDH1A1RECQLMAPT
SCHEMBL4637694 0.78 EPAS1 (0.39) TACR1TSHRSMN1; SMN2ALDH1A1LMNA
SCHEMBL4637876 0.78 EPAS1 (0.39) TACR1TSHRSMN1; SMN2ALDH1A1LMNA
SCHEMBL4637937 0.78 IDH1 (0.43) TSHRMAPK1ALDH1A1RECQLMAPT
SCHEMBL6385074 0.77 GPBAR1 (0.39) TACR1TSHRALDH1A1RECQLMAPT
SCHEMBL4637796 0.76 EPAS1 (0.39) TACR1TACR3TSHRALDH1A1LMNA

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 11 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
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 TACR1 2/4885TACR3 23/4885CCR2 850/4885

“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.