SCHEMBL6480543

SCHEMBL6480543

O=C(c1nnn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1N1CCOCC1)c1[nH]ncc1Cc1ccccc1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GAA P10253 2/20 0.36
TACR1 P25103 2/20 0.35
CNR2 P34972 3/20 0.34
KCNH2 Q12809 2/20 0.34
NPC1 O15118 1/20 0.34
HSP90AA1 P07900 1/20 0.34
RAB9A P51151 1/20 0.34
NTRK1 P04629 1/20 0.34
SLC16A3 O15427 1/20 0.34
SLC16A1 P53985 1/20 0.34
MCTS1 Q9ULC4 1/20 0.34
KDM4E B2RXH2 1/20 0.34
RAF1 P04049 1/20 0.34
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 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
SCHEMBL4708394 0.82 RXFP1 (0.44) ALDH1A1HPGDSMN1; SMN2GAAKCNH2
SCHEMBL4637891 0.78 TACR1 (0.39) TACR1CNR2KCNH2NPC1RAB9A
SCHEMBL14144832 0.78 TACR1 (0.37) ALDH1A1SMN1; SMN2TACR1MAPT
SCHEMBL27603336 0.76 ALDH1A1 (0.34) ALDH1A1HPGDSMN1; SMN2TACR1CNR2
SCHEMBL4708291 0.76 HPGD (0.39) ALDH1A1HPGDSMN1; SMN2GAAKCNH2
SCHEMBL4637694 0.75 EPAS1 (0.39) ALDH1A1SMN1; SMN2GAATACR1NTRK1
SCHEMBL4707874 0.75 EPAS1 (0.39) ALDH1A1SMN1; SMN2GAAKDM4EMAPT
SCHEMBL4708316 0.75 TACR1 (0.33) ALDH1A1SMN1; SMN2GAATACR1CNR2
SCHEMBL4637876 0.75 EPAS1 (0.39) ALDH1A1SMN1; SMN2GAATACR1NTRK1
SCHEMBL4637845 0.75 EPAS1 (0.41) ALDH1A1SMN1; SMN2GAATACR1KDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALDH1A1 1988/4885HPGD 1369/4885SMN1; SMN2 2813/4885

“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.