SCHEMBL17026792

SCHEMBL17026792

CCC(CC)(CN)c1cc(C(F)(F)F)ccc1Br

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
XBP1 P17861 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
LMNA P02545 1/20 0.35
ATM Q13315 1/20 0.35
IDO1 P14902 6/20 0.34
CES2 O00748 1/20 0.34
TAAR1 Q96RJ0 2/20 0.33
PDE2A O00408 1/20 0.33
AR P10275 1/20 0.33
CFTR P13569 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
RAB9A P51151 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
SLC6A4 P31645 1/20 0.31

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
SCHEMBL20125681 0.78 MAPT (0.38) MAPTL3MBTL1XBP1NPSR1LMNA
SCHEMBL496276 0.74 MAPT (0.53) MAPTXBP1NPSR1LMNACES2
SCHEMBL29632676 0.74 MAPT (0.53) MAPTXBP1NPSR1LMNACES2
SCHEMBL17026826 0.74 AR (0.41) MAPTXBP1NPSR1CES2PDE2A
SCHEMBL19750882 0.72 MAPT (0.36) MAPTXBP1NPSR1CES2PDE2A
SCHEMBL24330572 0.71 MAPT (0.41) MAPTXBP1NPSR1LMNAATM
SCHEMBL26830698 0.71 MAPT (0.41) MAPTXBP1NPSR1LMNACES2
SCHEMBL7165514 0.71 IDO1 (0.41) MAPTIDO1CES2TAAR1HTR2A
SCHEMBL31618336 0.70 MAPT (0.43) MAPTXBP1NPSR1LMNACES2
SCHEMBL4008288 0.70 NPSR1 (0.40) MAPTL3MBTL1XBP1NPSR1LMNA

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
US-20170066717-A1 NEW PHENYLAZETIDINECARBOXYLATE OR -CARBOXAMIDE COMPOUNDS INVENTIVA (FR) 2017-03-09 US disclosed
EP-3107910-A1 NEW PHENYLAZETIDINE, CARBOXYLATE OR CARBOXAMIDE COMPOUNDS INVENTIVA (FR) 2016-12-28 EP disclosed
WO-2015124868-A1 NEW PHENYLAZETIDINE, CARBOXYLATE OR CARBOXAMIDE COMPOUNDS INVENTIVA (FR) 2015-08-27 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-20170066717-A1 NEW PHENYLAZETIDINECARBOXYLATE OR -CARBOXAMIDE COMPOUNDS NCOR1, NCOR2, NCOA1 MAPT 2804/4885L3MBTL1 3606/4885XBP1 1928/4885

“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.