SCHEMBL3484987

SCHEMBL3484987

Nc1ccc(C2CCC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.52
ESR2 Q92731 9/20 0.47
ESR1 P03372 5/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
BACE1 P56817 1/20 0.40
NOS3 P29474 2/20 0.40
NOS1 P29475 2/20 0.40
NOS2 P35228 2/20 0.40
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 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
SCHEMBL1064153 0.95 SLC18A3 (0.56) SLC18A3ESR2MEN1MAPTKMT2A
SCHEMBL112829 0.92 SLC18A3 (0.55) SLC18A3ESR2MEN1MAPTKMT2A
SCHEMBL22291709 0.92 SLC18A3 (0.55) SLC18A3ESR2MEN1MAPTKMT2A
SCHEMBL7301118 0.92 SLC18A3 (0.55) SLC18A3ESR2MEN1MAPTKMT2A
SCHEMBL23192020 0.92 SLC18A3 (0.55) SLC18A3ESR2MEN1MAPTKMT2A
SCHEMBL24096570 0.92 SLC18A3 (0.55) SLC18A3ESR2MEN1MAPTKMT2A
SCHEMBL21449754 0.92 SLC18A3 (0.55) SLC18A3ESR2MEN1MAPTKMT2A
SCHEMBL11285130 0.90 SLC18A3 (0.44) SLC18A3ESR2ESR1CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL4986182 0.90 SLC18A3 (0.53) SLC18A3MEN1MAPTKMT2AHDAC1
SCHEMBL1128088 0.89 SLC18A3 (0.50) SLC18A3ESR2ESR1CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12617795-B2 Substituted 6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidines, 5,7-dihydrofuro[3,4-d]pyrimidines, and pyrido[2,3-d]pyrimidines as KCC2 modulators ASTRAZENECA AB (SE) 2026-05-05 US disclosed
EP-4695226-A1 GLUCOSE-DEPENDENT INSULINOTROPIC POLYPEPTIDE RECEPTOR ANTAGONISTS AND USES THEREOF Pfizer Inc. (US) 2026-02-18 EP disclosed
US-12391663-B2 Isoindolinone compounds MONTE ROSA THERAPEUTICS AG (CH) 2025-08-19 US disclosed
US-20250115581-A1 SUBSTITUTED PIPERIDINES AS CK1A DEGRADERS MONTE ROSA THERAPEUTICS AG (CH) 2025-04-10 US disclosed
CN-119735594-A Fused pyrimidine compounds as KCC2 modulators 阿斯利康(瑞典)有限公司 2025-04-01 CN disclosed
CN-119684300-A Fused pyrimidine compounds as KCC2 modulators 阿斯利康(瑞典)有限公司 2025-03-25 CN disclosed
CN-119684299-A Fused pyrimidine compounds as KCC2 modulators 阿斯利康(瑞典)有限公司 2025-03-25 CN disclosed
WO-2025054339-A1 TRIAZOLOPYRIDINE COMPOUNDS AS INHIBITORS OF KIT ARCUS BIOSCIENCES, INC. (US) 2025-03-13 WO disclosed
CN-115298182-B Fused pyrimidine compounds as KCC2 modulators 阿斯利康(瑞典)有限公司 2025-02-11 CN disclosed
US-20240366598-A1 GLUCOSE-DEPENDENT INSULINOTROPIC POLYPEPTIDE RECEPTOR ANTAGONISTS AND USES THEREOF PFIZER INC. (US) 2024-11-07 US disclosed
EP-2723741-A2 SUBSTITUTED IMIDAZOPYRIDINYL-AMINOPYRIDINE COMPOUNDS ArQule, Inc. (US) 2014-04-30 EP disclosed
US-20140057896-A1 PYRIDONE AND AZA-PYRIDONE COMPOUNDS AND METHODS OF USE GENENTECH, INC. 2014-02-27 US disclosed
WO-2012177844-A2 SUBSTITUTED IMIDAZOPYRIDINYL-AMINOPYRIDINE COMPOUNDS ARQULE, INC. (US) 2012-12-27 WO disclosed
US-20120010191-A1 PYRIDONE AND AZA-PYRIDONE COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2012-01-12 US disclosed
US-20100234409-A1 Amino cyclopentyl heterocyclic and carbocyclic modulators of chemokine receptor activity MERCK SHARP & DOHME CORP. 2010-09-16 US disclosed
WO-2008044755-A1 INK COMPOSITION, INKJET RECORDING INK AND INKJET RECORDING METHOD FUJIFILM CORPORATION (JP) 2008-04-17 WO disclosed
EP-1753740-A2 AMINO CYCLOPENTYL HETEROCYCLIC AND CARBOCYCLIC MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Merck & Co., Inc. (US) 2007-02-21 EP disclosed
EP-1633712-A2 SIX MEMBERED AMINO-AMIDE DERIVATIVES AS ANGIOGENESIS INHIBITORS Chen, Guoqing Paul (US) 2006-03-15 EP disclosed
WO-2006001958-A2 AMINO CYCLOPENTYL HETEROCYCLIC AND CARBOCYCLIC MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2006-01-05 WO disclosed
WO-2005000232-A2 SIX MEMBERED AMINO-AMIDE DERIVATIVES AS ANGIOGENESIS INHIBITORS CHEN GUOQING PAUL (US) 2005-01-06 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 (7 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-20100234409-A1 Amino cyclopentyl heterocyclic and carbocyclic modulators of chemokine receptor activity CXCR3, CXCR1, CCR2 SLC18A3 2937/4885ESR2 349/4885ESR1 817/4885
US-20240366598-A1 GLUCOSE-DEPENDENT INSULINOTROPIC POLYPEPTIDE RECEPTOR ANTAGONISTS AND USES THEREOF GIPR, GLP1R, GPR119 SLC18A3 1326/4885ESR2 692/4885ESR1 435/4885
US-12391663-B2 Isoindolinone compounds CYP4F2, AOC2, AOC3 SLC18A3 3643/4885ESR2 423/4885ESR1 1043/4885
US-20250115581-A1 SUBSTITUTED PIPERIDINES AS CK1A DEGRADERS CKS1B, CSNK1A1, CKS2 SLC18A3 4800/4885ESR2 925/4885ESR1 544/4885
US-20140057896-A1 PYRIDONE AND AZA-PYRIDONE COMPOUNDS AND METHODS OF USE PDXK, BTK, LCK SLC18A3 4424/4885ESR2 3661/4885ESR1 3255/4885
US-20120010191-A1 PYRIDONE AND AZA-PYRIDONE COMPOUNDS AND METHODS OF USE PDXK, BTK, LCK SLC18A3 4424/4885ESR2 3661/4885ESR1 3255/4885
US-12617795-B2 Substituted 6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidines, 5,7-dihydrofuro[3,4-d]pyrimidines, and pyrido[2,3-d]pyrimidines as KCC2 modulators KCNC1, TRPC6, KCNH2 SLC18A3 1545/4885ESR2 3512/4885ESR1 4733/4885

“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.