SCHEMBL9103347

SCHEMBL9103347

Cc1c(F)cccc1CC(=O)CBr

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
RIPK1 Q13546 3/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
PTGS2 P35354 3/20 0.35
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
CXCL8 P10145 2/20 0.35
NLRP3 Q96P20 1/20 0.35
HDAC4 P56524 1/20 0.35
ABCB11 O95342 1/20 0.35
PTGS1 P23219 1/20 0.35
PPARG P37231 1/20 0.35
NR1I3 Q14994 1/20 0.35
VNN1 O95497 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL9101675 0.83 P2RX7 (0.42) P2RX7SMN1; SMN2MEN1KMT2ARIPK1
SCHEMBL12731516 0.82 ALDH1A1 (0.46) SMN1; SMN2MEN1KMT2ACXCL8VNN1
SCHEMBL9102212 0.80 P2RX7 (0.45) P2RX7SMN1; SMN2MEN1KMT2ARIPK1
SCHEMBL868842 0.80 CXCL8 (0.53) P2RX7SMN1; SMN2PTGS2CXCL8ABCB11
SCHEMBL30858615 0.79 P2RX7 (0.47) P2RX7SMN1; SMN2RIPK1ESR1ESR2
SCHEMBL16112668 0.76 P2RX7 (0.45) P2RX7SMN1; SMN2RIPK1CXCL8NLRP3
SCHEMBL1144270 0.75 ACHE (0.37) P2RX7SMN1; SMN2MEN1KMT2ARIPK1
SCHEMBL909534 0.75 NLRP3 (0.50) P2RX7SMN1; SMN2KMT2ANLRP3ALDH1A1
SCHEMBL12731524 0.74 CTBP2 (0.51) SMN1; SMN2MEN1KMT2APTGS2ALDH1A1
SCHEMBL14177299 0.74 ALDH1A1 (0.46) SMN1; SMN2KMT2ACXCL8VNN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2459557-B1 CYCLIC (AZA)INDOLIZINECARBOXAMIDES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2013-09-18 EP disclosed
US-8415336-B2 Cyclic (aza)indolizinecarboxamides, their preparation and their use as pharmaceuticals SANOFI (FR) 2013-04-09 US disclosed
US-20120232081-A1 CYCLIC (AZA)INDOLIZINECARBOXAMIDES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2012-09-13 US disclosed
EP-2459557-A1 CYCLIC (AZA)INDOLIZINECARBOXAMIDES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2012-06-06 EP 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-20120232081-A1 CYCLIC (AZA)INDOLIZINECARBOXAMIDES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS REN, ACE, PM20D2 P2RX7 761/4885SMN1; SMN2 4824/4885MEN1 2274/4885

“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.