SCHEMBL4637729

SCHEMBL4637729

O=C(C#Cc1ccccc1Cl)c1ncn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.41
GAA P10253 2/20 0.37
ALDH1A1 P00352 1/20 0.37
PKM P14618 1/20 0.35
TSHR P16473 1/20 0.35
TACR1 P25103 6/20 0.35
NR3C1 P04150 1/20 0.35
ICMT O60725 1/20 0.34
GPBAR1 Q8TDU6 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KCNH2 Q12809 1/20 0.34
NR2E1 Q9Y466 1/20 0.34
HSD17B13 Q7Z5P4 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
SCHEMBL4638577 0.91 IDH1 (0.41) PTGDR2GPBAR1SMN1; SMN2
SCHEMBL4638053 0.83 ALDH1A1 (0.44) PTGDR2GAAALDH1A1TSHRADORA3
SCHEMBL4637724 0.81 KDM4E (0.40) GAAALDH1A1TACR1NR3C1KDM4E
SCHEMBL4637805 0.81 GAA (0.52) GAAALDH1A1PKMTSHRTACR1
SCHEMBL4637988 0.78 PTGDR2 (0.40) PTGDR2GAAALDH1A1TACR1HTT
SCHEMBL4637813 0.78 IDH1 (0.39) PTGDR2GAAALDH1A1TSHRGPBAR1
SCHEMBL4638859 0.76 SMN1; SMN2 (0.43) GAAALDH1A1TSHRTACR1KDM4E
SCHEMBL4707915 0.76 IDH1 (0.48) PTGDR2GAAALDH1A1TSHRGPBAR1
SCHEMBL4638554 0.76 CCR1 (0.39) PTGDR2GAAALDH1A1TACR1KDM4E
SCHEMBL4637949 0.75 IDH1 (0.39) PTGDR2GAAALDH1A1TSHRGPBAR1

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 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

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 PTGDR2 384/4885GAA 1920/4885ALDH1A1 1988/4885

“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.