SCHEMBL5332501

SCHEMBL5332501

BrCCCn1nnc2ccccc21

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 8/20 0.70
NPC1 O15118 3/20 0.60
RAB9A P51151 3/20 0.60
MAPT P10636 2/20 0.60
GLA P06280 1/20 0.58
TSHR P16473 1/20 0.58
EGLN3 Q9H6Z9 2/20 0.57
GRM2 Q14416 1/20 0.54
KDM4E B2RXH2 1/20 0.51
P2RX7 Q99572 1/20 0.51
TDP1 Q9NUW8 1/20 0.50
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
KMT2A Q03164 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL7541416 0.95 SLC9A1 (0.71) SLC9A1NPC1RAB9AMAPTGLA
SCHEMBL12676393 0.93 SLC9A1 (0.71) SLC9A1NPC1RAB9AMAPTGLA
SCHEMBL20244273 0.93 SLC9A1 (0.71) SLC9A1NPC1RAB9AMAPTGLA
SCHEMBL18636772 0.93 SLC9A1 (0.71) SLC9A1NPC1RAB9AMAPTGLA
SCHEMBL18636614 0.89 SLC9A1 (0.68) SLC9A1NPC1RAB9AMAPTGLA
SCHEMBL14796568 0.89 SLC9A1 (0.79) SLC9A1NPC1RAB9AMAPTGLA
SCHEMBL730645 0.82 SLC9A1 (0.70) SLC9A1NPC1RAB9AMAPTGLA
SCHEMBL7667065 0.82 SLC9A1 (0.70) SLC9A1NPC1RAB9AMAPTGLA
SCHEMBL7011474 0.82 SLC9A1 (0.70) SLC9A1NPC1RAB9AMAPTGLA
SCHEMBL1834794 0.82 SLC9A1 (1.00) SLC9A1NPC1RAB9AMAPTGLA

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050113357-A1 Muscarinic agonists ANDERSON CARL-MAGNUS A (DK) 2005-05-26 US claimed
CN-1439002-A Muscarinic agonists ACADIA PHARM INC (US) 2003-08-27 CN claimed
EP-1278741-A1 MUSCARINIC AGONISTS Acadia Pharmaceuticals Inc. (US) 2003-01-29 EP claimed
US-20020037886-A1 Muscarinic agonists ACADIA PHARMACEUTICALS INC. 2002-03-28 US claimed
WO-2001083472-A1 MUSCARINIC AGONISTS ACADIA PHARMACEUTICALS, INC. (US) 2001-11-08 WO claimed
CN-107849035-A Phenyl heterocyclic derivative and application thereof in medicine 四川海思科制药有限公司 2018-03-27 CN disclosed
CN-107074833-A With β2The Benzocyclodirivative of receptor agonism and M3 receptor antagonist activities and its in purposes pharmaceutically 四川海思科制药有限公司 2017-08-18 CN disclosed
EP-3141582-A1 SYNTHESIS AND USE OF POLYALKYLAMINES Incella GmbH (DE) 2017-03-15 EP disclosed
CN-101016296-A Muscarinic agonists ACADIA PHARM INC (US) 2007-08-15 CN disclosed
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
CN-1814596-A Muscarinic agonists ARCADIA PHARMACEUTICALS INC (US) 2006-08-09 CN 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
US-4175129-A Antiemetic 1-(benzoxazolylalkyl)-piperidine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1979-11-20 US disclosed
US-4160836-A Antiemetic 1-(benzothiazolylalkyl)piperidine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1979-07-10 US disclosed
US-4126687-A ANTIEMETIC, 1-(BENZIMIDAZOLYL-ALKYL)-PIPERIDINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1978-11-21 US disclosed
US-4126688-A ANTIEMETIC 1-(BENZOTRIAZOLYL-ALKYL)-PIPERIDINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1978-11-21 US disclosed
US-4110333-A ANTIEMETIC INTERMEDIATES JANSSEN PHARMACEUTICA N.V. (BE) 1978-08-29 US disclosed
US-4066772-A ANTIEMETICS JANSSEN PHARMACEUTICA N.V. (BE) 1978-01-03 US 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 SLC9A1 3562/4885NPC1 1418/4885RAB9A 2681/4885
US-20070155795-A1 MUSCARINIC AGONISTS CHRM2, CHRM1, CHRM4 SLC9A1 3562/4885NPC1 1418/4885RAB9A 2681/4885
US-20050113357-A1 Muscarinic agonists CHRM2, CHRM1, CHRM4 SLC9A1 3562/4885NPC1 1418/4885RAB9A 2681/4885

“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.