SCHEMBL3500951

SCHEMBL3500951

COC(=O)c1ccc2c(c1)N(c1ccccc1)CCC2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.54
ACHE P22303 1/20 0.52
KMT2A Q03164 5/20 0.48
MEN1 O00255 3/20 0.48
RAB9A P51151 2/20 0.46
KDM4E B2RXH2 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NLRP3 Q96P20 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
PDK1 Q15118 1/20 0.45
PDK2 Q15119 1/20 0.45
PDK3 Q15120 1/20 0.45
PDK4 Q16654 1/20 0.45
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44

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
SCHEMBL30898774 0.84 MEN1 (0.53) KMT2AMEN1KDM4ESMN1; SMN2MAPT
SCHEMBL23632960 0.84 MEN1 (0.53) KMT2AMEN1KDM4ESMN1; SMN2MAPT
SCHEMBL18162691 0.84 CYP1A2 (0.51) NPC1KMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL32688194 0.84 ALDH1A1 (0.55) NPC1KMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL17276109 0.80 NPC1 (0.46) NPC1KMT2AMEN1SMN1; SMN2CYP1A2
SCHEMBL553563 0.80 KDM4E (0.57) NPC1ACHEKMT2AMEN1RAB9A
SCHEMBL18002657 0.80 MEN1 (0.48) NPC1KMT2AMEN1RAB9AKDM4E
SCHEMBL18580867 0.78 HDAC6 (0.50) NPC1ACHEKMT2AMEN1RAB9A
SCHEMBL3501542 0.77 NPC1 (0.48) NPC1KMT2AMEN1SMN1; SMN2FGFR1
SCHEMBL27757915 0.77 DRD1 (0.52) KDM4ESMN1; SMN2ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3145915-B1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME LLC (US) 2025-03-19 EP disclosed
US-10000454-B2 Antidiabetic tricyclic compounds MERCK SHARP & DOHME (US) 2018-06-19 US disclosed
US-20170081287-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME LLC 2017-03-23 US disclosed
WO-2015176267-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2015-11-26 WO disclosed
US-20100152165-A1 CARBOXYLIC ACID DERIVATIVES ASTELLAS PHARMA INC. (JP) 2010-06-17 US disclosed
US-20100152165-A1 CARBOXYLIC ACID DERIVATIVES ASTELLAS PHARMA INC. (JP) 2010-06-17 US disclosed
EP-2096109-A1 CARBOXYLIC ACID DERIVATIVE Astellas Pharma Inc. (JP) 2009-09-02 EP disclosed
EP-2096109-A1 CARBOXYLIC ACID DERIVATIVE Astellas Pharma Inc. (JP) 2009-09-02 EP 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-10000454-B2 Antidiabetic tricyclic compounds GPR119, GPR65, GPR52 NPC1 283/4885ACHE 3255/4885KMT2A 3661/4885
US-20100152165-A1 CARBOXYLIC ACID DERIVATIVES GPR119, GPR65, HCAR1 NPC1 1572/4885ACHE 4397/4885KMT2A 3440/4885
US-20170081287-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS GPR119, GPR65, GPR52 NPC1 283/4885ACHE 3255/4885KMT2A 3661/4885

“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.