SCHEMBL6544708

SCHEMBL6544708

CCOc1cc2c(cc1C(=O)NC)C(=N)N(CC(=O)c1cc3c(c(C(C)(C)C)c1)OCCN3C)C2

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F2R P25116 8/20 0.47
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 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
Bromide SCHEMBL1729005 0.99 F2R (0.48) F2RKDM4ENPC1MAPTRAB9A
Bromide SCHEMBL1729337 0.92 F2R (0.47) F2RKDM4ENPC1MAPTRAB9A
SCHEMBL1732107 0.92 F2R (0.46) F2RKDM4ENPC1MAPTRAB9A
Bromide SCHEMBL5484009 0.92 F2R (0.48) F2RKDM4ENPC1MAPTRAB9A
Bromide SCHEMBL5494502 0.91 F2R (0.46) F2RKDM4ENPC1MAPTRAB9A
SCHEMBL14449168 0.91 F2R (0.45) F2RKDM4ENPC1MAPTRAB9A
Bromide SCHEMBL1731693 0.91 F2R (0.46) F2RKDM4ENPC1MAPTRAB9A
Hydrochloric Acid SCHEMBL1732019 0.91 F2R (0.45) F2R
Bromide SCHEMBL1729939 0.91 F2R (0.46) F2RKDM4ENPC1MAPTRAB9A
Hydrochloric Acid SCHEMBL1729139 0.91 F2R (0.45) F2RKDM4EMAPTRAB9A

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 5 patents. 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
WO-2009124103-A2 COMBINATION THERAPIES COMPRISING PAR1 ANTAGONISTS WITH PAR4 ANTAGONISTS SCHERING CORPORATION (US) 2009-10-08 WO disclosed
US-20090022729-A1 METHODS AND COMPOSITIONS FOR TREATING CARDIAC DYSFUNCTIONS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2009-01-22 US disclosed
US-7244730-B2 2-iminopyrrolidine derivatives EISAI CO., LTD (JP) 2007-07-17 US disclosed
EP-1391451-A1 2-IMINOPYRROLIDINE DERIVATES Eisai Co., Ltd. (JP) 2004-02-25 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 (2 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-20090022729-A1 METHODS AND COMPOSITIONS FOR TREATING CARDIAC DYSFUNCTIONS TNNI3, MYLK2, FABP3 F2R 8/4885KDM4E 4135/4885NPC1 2143/4885
US-20110065676-A1 COMBINATION THERAPIES COMPRISING PAR1 ANTAGONISTS WITH NAR AGONISTS F2R, F2RL1, F2RL3 F2R 1/4885KDM4E 4337/4885NPC1 340/4885

“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.