SCHEMBL5338764

SCHEMBL5338764

BrCCCn1ncc2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.58
KMO O15229 3/20 0.57
RECQL P46063 2/20 0.54
P2RX7 Q99572 1/20 0.51
DAO P14920 1/20 0.48
ADRA2A P08913 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 3/20 0.41
HSD17B10 Q99714 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
TSHR P16473 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SOAT1 P35610 1/20 0.38

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
SCHEMBL8768618 0.89 CYP1A2 (0.62) CYP1A2KMORECQLP2RX7DAO
SCHEMBL319515 0.84 RECQL (0.61) CYP1A2KMORECQLP2RX7DAO
SCHEMBL3243999 0.82 CYP1A2 (0.58) CYP1A2KMORECQLP2RX7DAO
SCHEMBL731911 0.82 CYP1A2 (0.58) CYP1A2KMORECQLP2RX7DAO
SCHEMBL1326630 0.82 CYP1A2 (0.58) CYP1A2KMORECQLP2RX7DAO
SCHEMBL4951648 0.82 KMO (0.61) CYP1A2KMORECQLP2RX7DAO
SCHEMBL5389251 0.81 RECQL (0.61) CYP1A2KMORECQLP2RX7DAO
SCHEMBL31301070 0.81 CYP1A2 (0.57) CYP1A2KMORECQLP2RX7DAO
SCHEMBL861732 0.81 CYP1A2 (0.57) CYP1A2KMORECQLP2RX7DAO
SCHEMBL5365409 0.81 KMO (0.59) CYP1A2KMORECQLP2RX7DAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070155795-A1 MUSCARINIC AGONISTS ACADIA PHARMACEUTICALS INC. (US) 2007-07-05 US disclosed
US-7238713-B2 Muscarinic agonists ACADIA PHARMACEUTICALS, INC. (US) 2007-07-03 US disclosed
EP-1535912-A1 Muscarinic agonists Arcadia Pharmaceuticals Inc. (US) 2005-06-01 EP disclosed
US-20050113357-A1 Muscarinic agonists ANDERSON CARL-MAGNUS A (DK) 2005-05-26 US disclosed
EP-1278741-B1 MUSCARINIC AGONISTS ACADIA PHARM INC (US) 2005-03-02 EP disclosed
US-6627645-B2 Cholinergic agents ACADIA PHARMACEUTICALS, INC. 2003-09-30 US disclosed
EP-1278741-A1 MUSCARINIC AGONISTS Acadia Pharmaceuticals Inc. (US) 2003-01-29 EP disclosed
US-20020037886-A1 Muscarinic agonists ACADIA PHARMACEUTICALS INC. 2002-03-28 US disclosed
WO-2001083472-A1 MUSCARINIC AGONISTS ACADIA PHARMACEUTICALS, INC. (US) 2001-11-08 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 (3 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-20020037886-A1 Muscarinic agonists CHRM2, CHRM1, CHRM4 CYP1A2 790/4885KMO 580/4885RECQL 1708/4885
US-20070155795-A1 MUSCARINIC AGONISTS CHRM2, CHRM1, CHRM4 CYP1A2 790/4885KMO 580/4885RECQL 1708/4885
US-20050113357-A1 Muscarinic agonists CHRM2, CHRM1, CHRM4 CYP1A2 790/4885KMO 580/4885RECQL 1708/4885

“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.