SCHEMBL12759493

SCHEMBL12759493

CNC(=O)c1cc2c(cc1C)CN(CC(=O)c1cc3c(c(C(C)(C)C)c1)OCCN3C)C2=N

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2R P25116 7/20 0.38
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
DRD2 P14416 2/20 0.30
PTGER3 P43115 1/20 0.30

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
Bromide SCHEMBL1729257 0.90 F2R (0.37) F2RKDM4EMAPTRAB9ANPC1
SCHEMBL6544708 0.89 F2R (0.47) F2RKDM4EMAPTRAB9ANPC1
Bromide SCHEMBL1729005 0.89 F2R (0.48) F2RKDM4EMAPTRAB9ANPC1
Bromide SCHEMBL5490771 0.83 F2R (0.39) F2RKDM4EMAPTRAB9ANPC1
Bromide SCHEMBL1729969 0.82 F2R (0.36) F2RKDM4EMAPTRAB9ASMN1; SMN2
Bromide SCHEMBL1729337 0.81 F2R (0.47) F2RKDM4EMAPTRAB9ANPC1
SCHEMBL1732107 0.81 F2R (0.46) F2RKDM4EMAPTRAB9ANPC1
Bromide SCHEMBL5484009 0.81 F2R (0.48) F2RKDM4EMAPTRAB9ANPC1
Bromide SCHEMBL1732250 0.81 F2R (0.36) F2R
SCHEMBL14449168 0.81 F2R (0.45) F2RKDM4EMAPTRAB9ANPC1

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-20110065676-A1 COMBINATION THERAPIES COMPRISING PAR1 ANTAGONISTS WITH NAR AGONISTS SCHERING CORPORATION (US) 2011-03-17 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-20110065676-A1 COMBINATION THERAPIES COMPRISING PAR1 ANTAGONISTS WITH NAR AGONISTS F2R, F2RL1, F2RL3 F2R 1/4885KDM4E 4337/4885MAPT 4365/4885

“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.