SCHEMBL4138299

SCHEMBL4138299

N#Cc1ccc2c(c1)OCCC2N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 4/20 0.42
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
MAP3K14 Q99558 1/20 0.38
CHRNA1 P02708 1/20 0.38
CHRNG P07510 1/20 0.38
CHRNB1 P11230 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
CHRND Q07001 1/20 0.38
BACE1 P56817 1/20 0.38
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
DPP4 P27487 4/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
SLC6A4 P31645 1/20 0.36

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
SCHEMBL5394460 1.00 LRRK2 (0.42) LRRK2DRD2DRD3MAP3K14CHRNA1
SCHEMBL26962417 1.00 LRRK2 (0.42) LRRK2DRD2DRD3MAP3K14CHRNA1
SCHEMBL31715704 1.00 LRRK2 (0.42) LRRK2DRD2DRD3MAP3K14CHRNA1
Hydrochloric Acid SCHEMBL26962592 0.98 LRRK2 (0.42) LRRK2DRD2DRD3MAP3K14CHRNA1
SCHEMBL29243618 0.87 DRD2 (0.42) LRRK2DRD2DRD3CHRNA1CHRNG
SCHEMBL1266045 0.87 DRD2 (0.42) LRRK2DRD2DRD3CHRNA1CHRNG
SCHEMBL20840251 0.85 DRD2 (0.47) DRD2DRD3CHRNA1CHRNGCHRNB1
SCHEMBL24838477 0.83 MAP3K14 (0.38) LRRK2MAP3K14
SCHEMBL24838465 0.83 MAP3K14 (0.38) LRRK2MAP3K14
SCHEMBL24090521 0.82 LRRK2 (0.42) LRRK2DRD2DRD3MAP3K14CHRNA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240150339-A1 Compounds and Their Use as PDE4 Activators MIRONID LIMITED (GB) 2024-05-09 US disclosed
EP-4291557-A1 COMPOUNDS AND THEIR USE AS PDE4 ACTIVATORS Mironid Limited (GB) 2023-12-20 EP disclosed
CN-116848107-A Compounds and their use as PDE4 activators 米罗尼德有限公司 2023-10-03 CN disclosed
WO-2022172037-A1 COMPOUNDS AND THEIR USE AS PDE4 ACTIVATORS MIRONID LIMITED (GB) 2022-08-18 WO disclosed
US-20090048224-A1 COMPOUNDS AND METHODS OF USE AMGEN, INC. (US) 2009-02-19 US disclosed
US-20090048224-A1 COMPOUNDS AND METHODS OF USE AMGEN, INC. (US) 2009-02-19 US disclosed
US-7425631-B2 Compounds and methods of use AMGEN INC. (US) 2008-09-16 US disclosed
US-7425631-B2 Compounds and methods of use AMGEN INC. (US) 2008-09-16 US disclosed
US-7199244-B2 Cyclic amine derivatives and methods of use AMGEN (US) 2007-04-03 US disclosed
US-7199244-B2 Cyclic amine derivatives and methods of use AMGEN (US) 2007-04-03 US disclosed
EP-1633743-A1 CYCLIC AMINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF INFLAMMATION-RELATED DISORDERS MEDIATED BY BRADYKININ Amgen, Inc. (US) 2006-03-15 EP disclosed
EP-1631542-A1 BICYCLIC COMPOUNDS HAVING BRADYKININ RECEPTORS AFFINITY AND PHARMACEUTICAL COMPOSITIONS THEREOF Amgen, Inc. (US) 2006-03-08 EP disclosed
US-20050234044-A1 Cyclic amine derivatives and methods of use AMGEN INC. 2005-10-20 US disclosed
US-6919347-B2 Bradykinin B1 receptor antagonists PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2005-07-19 US disclosed
US-20050124654-A1 Compounds and methods of use AMGEN INC. 2005-06-09 US disclosed
WO-2004092116-A1 BICYCLIC COMPOUNDS HAVING BRADYKININ RECEPTORS AFFINITY AND PHARMACEUTICAL COMPOSITIONS THEREOF AMGEN, INC. (US) 2004-10-28 WO disclosed
WO-2004092164-A1 CYCLIC AMINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF INFLAMMATION-RELATED DISORDERS MEDIATED BY BRADYKININ AMGEN, INC. (US) 2004-10-28 WO disclosed
EP-1196411-B1 BRADYKININ B1 RECEPTOR ANTAGONISTS PHARMACOPEIA INC (US) 2003-09-17 EP disclosed
EP-1196411-A1 BRADYKININ B1 RECEPTOR ANTAGONISTS PHARMACOPEIA, INC. (US) 2002-04-17 EP disclosed
WO-2001005783-A1 BRADYKININ B1 RECEPTOR ANTAGONISTS PHARMACOPEIA, INC. (US) 2001-01-25 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 (4 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-20050124654-A1 Compounds and methods of use LTC4S, PTGES, LTB4R2 LRRK2 3622/4885DRD2 3363/4885DRD3 3373/4885
US-20090048224-A1 COMPOUNDS AND METHODS OF USE LTC4S, PTGES, LTB4R2 LRRK2 3622/4885DRD2 3363/4885DRD3 3373/4885
US-20050234044-A1 Cyclic amine derivatives and methods of use PTGIS, BDKRB2, LTC4S LRRK2 1702/4885DRD2 1596/4885DRD3 1834/4885
US-20240150339-A1 Compounds and Their Use as PDE4 Activators PDE4A, PDE4B, PDE4C LRRK2 3995/4885DRD2 2287/4885DRD3 2098/4885

“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.