SCHEMBL4940273

SCHEMBL4940273

BrCCCCOc1cncc(Br)c1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.43
CHRNA4 P43681 3/20 0.43
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MAPT P10636 1/20 0.38
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL17841557 0.94 CHRNB2 (0.44) CHRNB2CHRNA4NPC1RAB9A
SCHEMBL17841473 0.89 CHRNB2 (0.46) CHRNB2CHRNA4NPC1RAB9A
SCHEMBL19668758 0.88 CHRNB2 (0.46) CHRNB2CHRNA4NPC1RAB9A
SCHEMBL1557490 0.84 GGPS1 (0.49) CHRNB2CHRNA4NPC1RAB9AMAPT
SCHEMBL6253280 0.83 CHRNB2 (0.43) CHRNB2CHRNA4NPC1RAB9A
SCHEMBL27880039 0.82 GGPS1 (0.51) CHRNB2CHRNA4MAPT
SCHEMBL31393027 0.81 CYP11B1 (0.45) CHRNB2CHRNA4MAPT
SCHEMBL7924171 0.81 MAPT (0.47) CHRNB2CHRNA4MAPTLMNACYP1A2
SCHEMBL21465056 0.80 CHRNB2 (0.48) CHRNB2CHRNA4NPC1RAB9ALMNA
SCHEMBL1621537 0.79 AKT1 (0.51) CHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293684-A1 Heterocyclic Acetophenone Potentiators of Metabotropic Glutamate Receptors MERCK SHARP & DOHME CORP. 2008-11-27 US disclosed
CN-1993326-A Heterocyclic acetophenone potentiators of metabotropic glutamate receptors MERCK & CO INC (US) 2007-07-04 CN disclosed
EP-1773774-A2 HETEROCYCLIC ACETOPHENONE POTENTIATORS OF METABOTROPIC GLUTAMATE RECEPTORS Merck & Co., Inc. (US) 2007-04-18 EP disclosed
WO-2006014918-A2 HETEROCYCLIC ACETOPHENONE POTENTIATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERCK & CO., INC. (US) 2006-02-09 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-20080293684-A1 Heterocyclic Acetophenone Potentiators of Metabotropic Glutamate Receptors GRM2, GRM1, GRIK2 CHRNB2 141/4885CHRNA4 102/4885NPC1 2147/4885

“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.