SCHEMBL2114972

SCHEMBL2114972

FC(F)(F)c1cccc(OC2C[C@H]3CNC[C@H]3C2)c1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.66
SLC6A2 P23975 3/20 0.66
SLC6A3 Q01959 2/20 0.66
TP53 P04637 1/20 0.47
HTR2A P28223 3/20 0.47
HTR2C P28335 3/20 0.47
HTR2B P41595 3/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
CHRNB2 P17787 2/20 0.45
CHRNA4 P43681 2/20 0.45
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
ATM Q13315 1/20 0.42
MGLL Q99685 1/20 0.42
ABHD6 Q9BV23 1/20 0.42
EPHX2 P34913 1/20 0.42

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
SCHEMBL2114969 1.00 SLC6A4 (0.66) SLC6A4SLC6A2SLC6A3TP53HTR2A
SCHEMBL83664 0.88 SLC6A4 (0.64) SLC6A4SLC6A2SLC6A3TP53HTR2A
Hydrochloric Acid SCHEMBL29971651 0.86 SLC6A4 (0.62) SLC6A4SLC6A2SLC6A3TP53HTR2A
Hydrochloric Acid SCHEMBL70045 0.86 SLC6A4 (0.62) SLC6A4SLC6A2SLC6A3TP53HTR2A
SCHEMBL26933188 0.80 SLC6A2 (0.67) SLC6A4SLC6A2SLC6A3TP53KMT2A
SCHEMBL26933183 0.80 SLC6A2 (0.67) SLC6A4SLC6A2SLC6A3TP53KMT2A
Oxalic Acid SCHEMBL9596815 0.80 SLC6A4 (0.56) SLC6A4SLC6A2SLC6A3TP53HTR2A
SCHEMBL29730817 0.79 SLC6A2 (0.62) SLC6A4SLC6A2SLC6A3TP53HTR2C
SCHEMBL70960 0.79 SLC6A2 (0.62) SLC6A4SLC6A2SLC6A3TP53HTR2C
SCHEMBL20858622 0.79 SLC6A2 (0.69) SLC6A4SLC6A2SLC6A3TP53HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2430006-B1 CYCLOPENTA[C]PYRROLE-2-CARBOXYLATE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2014-11-26 EP disclosed
US-8697883-B2 Cyclopenta[C]pyrrole-2-carboxylate derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2014-04-15 US disclosed
US-20120095040-A1 CYCLOPENTA[C]PYRROLE-2-CARBOXYLATE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-04-19 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-20120095040-A1 CYCLOPENTA[C]PYRROLE-2-CARBOXYLATE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF EPOR, ACAD9, CBR1 SLC6A4 3490/4885SLC6A2 1817/4885SLC6A3 1435/4885

“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.