SCHEMBL17026824

SCHEMBL17026824

CC(C)c1cc(Br)c2c(c1)CCCN2

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 1/20 0.32
▸ ADRA2B P18089 1/20 0.32
▸ ADRA2C P18825 1/20 0.32
▸ ADRA1D P25100 1/20 0.32
▸ HTR1D P28221 1/20 0.32
▸ HTR1B P28222 1/20 0.32
▸ ADRA1A P35348 1/20 0.32
▸ ADRA1B P35368 1/20 0.32
▸ PARP1 P09874 2/20 0.31
▸ CA12 O43570 1/20 0.30
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30
▸ CA9 Q16790 1/20 0.30

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
SCHEMBL25632129 0.78 CYP1A2 (0.34) ADRA2AADRA2BADRA2CADRA1DHTR1D
SCHEMBL1536877 0.77 ALDH1A1 (0.36) CA12CA1CA2CA9
SCHEMBL7096437 0.77 PRNP (0.36) PARP1CA12CA1CA2CA9
SCHEMBL4870174 0.75 PARP1 (0.40) PARP1CA12CA1CA2CA9
SCHEMBL10912290 0.74 MEN1 (0.39) CA12CA1CA2CA9
SCHEMBL17026965 0.71 HPGD (0.33) —
SCHEMBL14330930 0.70 ADRA2A (0.41) ADRA2AADRA2BADRA2CADRA1DHTR1D
SCHEMBL10911434 0.70 HTR1D (0.39) HTR1DHTR1BPARP1
SCHEMBL14329032 0.70 GABRA1 (0.41) ADRA2AADRA2BADRA2CADRA1DHTR1D
SCHEMBL17027011 0.70 AR (0.34) PARP1CA12CA1CA2CA9

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 ADRA2A 38/4885ADRA2B 59/4885ADRA2C 64/4885

“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.

Send feedback