SCHEMBL4494732

SCHEMBL4494732

Cc1c(S)nn2c(N3CCC(C)CC3)c(-c3ccc(F)cc3Cl)c(Cl)nc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.35
CNR2 P34972 4/20 0.34
PTPN11 Q06124 1/20 0.34
GRM5 P41594 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
EGFR P00533 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
CNR1 P21554 2/20 0.33
HPGD P15428 2/20 0.32
LMNA P02545 1/20 0.32
PDE2A O00408 1/20 0.32
KCNH2 Q12809 1/20 0.32
CHRM4 P08173 1/20 0.32
CRHR1 P34998 1/20 0.32
SCD O00767 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL4494735 0.80 GRM5 (0.35) TRPV1CNR2PTPN11GRM5KDM4E
SCHEMBL3424653 0.78 PDE2A (0.45) TRPV1NPSR1ALDH1A1LMNAPDE2A
SCHEMBL4494555 0.78 CNR2 (0.39) TRPV1CNR2GRM5CNR1KCNH2
SCHEMBL14374398 0.77 GRM5 (0.34) TRPV1CNR2PTPN11GRM5KDM4E
SCHEMBL5236556 0.77 GRM5 (0.38) TRPV1CNR2PTPN11GRM5KDM4E
SCHEMBL5240772 0.77 KDM4E (0.39) CNR2GRM5KDM4ENPSR1ALDH1A1
SCHEMBL5486841 0.77 GRM5 (0.36) TRPV1CNR2PTPN11GRM5KDM4E
SCHEMBL5235784 0.77 TRPV1 (0.38) TRPV1CNR2PTPN11GRM5KDM4E
SCHEMBL14374391 0.77 HTR2C (0.35) TRPV1CNR2GRM5KDM4EEGFR
SCHEMBL4506761 0.77 GRM5 (0.41) TRPV1CNR2GRM5KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7629294-B2 Pyrazolopyrimidines BAYER CROPSCIENCE LP (DE) 2009-12-08 US disclosed
US-20050187224-A1 Pyrazolopyrimidines BAYER CROPSCIENCE AG (DE) 2005-08-25 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-20050187224-A1 Pyrazolopyrimidines P2RX5, P2RX4, P2RX1 TRPV1 1349/4885CNR2 812/4885PTPN11 1389/4885

“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.