SCHEMBL2229801

SCHEMBL2229801

O=C(OCc1cscn1)N1CCC(CCOc2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 3/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 2/20 0.40
HTT P42858 2/20 0.40
TEAD1 P28347 1/20 0.40
TEAD3 Q99594 1/20 0.40
MAPT P10636 1/20 0.40
MGLL Q99685 3/20 0.40
FFAR1 O14842 1/20 0.40
HTR1A P08908 1/20 0.40
HTR7 P34969 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
MAPK1 P28482 1/20 0.39
CHRM4 P08173 1/20 0.39
MMP2 P08253 1/20 0.39

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
SCHEMBL2230299 0.93 MEN1 (0.41) KMT2ANPC1RAB9AMEN1TEAD1
SCHEMBL2365458 0.89 LIPE (0.43) TEAD1TEAD3MGLLMMP2MMP9
SCHEMBL2227489 0.86 MMP2 (0.42) TEAD1TEAD3MMP2MMP9FAAH
SCHEMBL2228538 0.86 TEAD1 (0.45) LMNAKDM4EALDH1A1GAATEAD1
SCHEMBL2229435 0.86 TEAD1 (0.45) TEAD1TEAD3HTR7HRH3CHRM4
SCHEMBL2365563 0.85 MMP2 (0.40) TEAD1TEAD3MMP2MMP9
SCHEMBL2227170 0.85 MGLL (0.50) TEAD1TEAD3MGLLCHRM4MMP2
SCHEMBL2229045 0.84 MMP2 (0.45) NPC1RAB9ATEAD1TEAD3CHRM4
SCHEMBL2365540 0.83 GRIN2B (0.42) TEAD1TEAD3MMP2MMP9
SCHEMBL2228891 0.83 TEAD1 (0.50) NPC1RAB9AGAATEAD1TEAD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9000010-B2 Alkyl-heterocycle carbamate derivatives, their preparation and their therapeutic application SANOFI (FR) 2015-04-07 US claimed
EP-2526100-B1 ALKYL-HETEROCYCLE CARBAMATE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI SA (FR) 2013-12-04 EP claimed
US-20120295909-A1 ALKYL-HETEROCYCLE CARBAMATE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI (FR) 2012-11-22 US claimed
WO-2011089550-A1 ALKYL-HETEROCYCLE CARBAMATE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI AVENTIS (FR) 2011-07-28 WO claimed
US-9000010-B2 Alkyl-heterocycle carbamate derivatives, their preparation and their therapeutic application SANOFI (FR) 2015-04-07 US disclosed
EP-2526100-B1 ALKYL-HETEROCYCLE CARBAMATE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI SA (FR) 2013-12-04 EP disclosed
US-20120295909-A1 ALKYL-HETEROCYCLE CARBAMATE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI (FR) 2012-11-22 US disclosed
WO-2011089550-A1 ALKYL-HETEROCYCLE CARBAMATE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI AVENTIS (FR) 2011-07-28 WO 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-20120295909-A1 ALKYL-HETEROCYCLE CARBAMATE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION PRMT9, PRMT8, CBR1 KMT2A 1095/4885NPC1 1439/4885RAB9A 443/4885

“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.