SCHEMBL3663869

SCHEMBL3663869

CC(C)(O)c1cc(-c2cncc(Br)c2)cc(-c2ccccn2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.36
CCR1 P32246 3/20 0.35
CCR5 P51681 3/20 0.35
CCR8 P51685 3/20 0.35
CYP2A6 P11509 2/20 0.35
ALDH1A1 P00352 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
RXFP1 Q9HBX9 2/20 0.34
TP53 P04637 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
NPC1 O15118 2/20 0.34
PKM P14618 2/20 0.34
RAB9A P51151 2/20 0.34
TSHR P16473 1/20 0.34
LMNA P02545 4/20 0.33
KDM4E B2RXH2 3/20 0.33
ALOX15 P16050 3/20 0.33
HTT P42858 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
HPGDS O60760 2/20 0.33

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
SCHEMBL4183866 0.88 CYP2A6 (0.36) GRM5CCR1CCR5CCR8CYP2A6
SCHEMBL3664633 0.84 NPSR1 (0.37) CYP2A6ALDH1A1NPSR1RXFP1TP53
SCHEMBL3722316 0.81 ACVR1B (0.43)
SCHEMBL3667875 0.80 GPR39 (0.37) GRM5CCR1CCR5CCR8CYP2A6
SCHEMBL3663765 0.79 CCR1 (0.40) GRM5CCR1CCR5CCR8CYP2A6
SCHEMBL3664991 0.78 MDM2 (0.41) GRM5CCR1CCR5CCR8CYP2A6
SCHEMBL3661014 0.76 NPSR1 (0.33) ALDH1A1NPSR1RXFP1SMN1; SMN2NPC1
SCHEMBL3663615 0.76 CCR1 (0.37) GRM5CCR1CCR5CCR8CYP2A6
SCHEMBL3665505 0.75 ESR1 (0.37) GRM5CCR1CCR5CCR8CYP2A6
SCHEMBL3661769 0.75 KDM4E (0.37) GRM5CCR1CCR5CCR8CYP2A6

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
EP-2242742-B1 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 2015-12-02 EP disclosed
US-8343966-B2 Organic compounds NOVARTIS AG (CH) 2013-01-01 US disclosed
EP-2242742-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2010-10-27 EP disclosed
US-20090215776-A1 Organic compounds ADCOCK CLAIRE 2009-08-27 US disclosed
WO-2009087212-A2 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 2009-07-16 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-20090215776-A1 Organic compounds REN, RXFP1, MYLK GRM5 4235/4885CCR1 293/4885CCR5 1737/4885

“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.