SCHEMBL623669

SCHEMBL623669

CC(C)c1ccc(OCc2cccnc2N)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
BACE1 P56817 1/20 0.38
GRM2 Q14416 1/20 0.38
IDO1 P14902 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
SCHEMBL623870 0.87 ALDH1A1 (0.44) FFAR1NPC1RAB9APOLBLMNA
SCHEMBL625198 0.83 FFAR1 (0.43) FFAR1NPC1RAB9ARXRARXRB
SCHEMBL9037844 0.80 LTA4H (0.50) NPC1RAB9AKDM4EMAPTBACE1
SCHEMBL26581181 0.80 F2 (0.46) FFAR1NPC1RAB9ARXRARXRB
SCHEMBL623670 0.78 RAB9A (0.47) FFAR1NPC1RAB9AHTTBACE1
SCHEMBL624882 0.77 BACE1 (0.56) NPC1RAB9AKDM4ELMNAMAPT
SCHEMBL26581147 0.76 KDM4E (0.53) FFAR1NPC1RAB9ARXRARXRB
SCHEMBL16638704 0.76 KDM4E (0.58) NPC1MRGPRX4KDM4ECYP3A4LMNA
SCHEMBL623871 0.75 NPC1 (0.45) NPC1RAB9ANPSR1
SCHEMBL12474039 0.75 NPC1 (0.47) NPC1RAB9AKDM4EMAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240360156-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-10-31 US disclosed
US-11279713-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-03-22 US disclosed
US-20200317692-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-10-08 US disclosed
US-10654874-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-05-19 US disclosed
EP-2603513-B1 HETEROCYCLIC COMPOUND AND USE THEREOF AS AMPA RECEPTOR POSITIVE ALLOSTERIC MODULATOR TAKEDA PHARMACEUTICALS CO (JP) 2020-03-11 EP disclosed
US-20190263832-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-08-29 US disclosed
US-20180162875-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-06-14 US disclosed
US-9884875-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-02-06 US disclosed
US-20170022222-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-01-26 US disclosed
US-9499568-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-11-22 US disclosed
US-20140080817-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-03-20 US disclosed
US-8575154-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-11-05 US disclosed
US-20130190291-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-25 US disclosed
US-20130184266-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-18 US disclosed
EP-2603513-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2013-06-19 EP disclosed
US-20120077799-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-29 US disclosed
WO-2012020848-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-16 WO disclosed
EP-0385634-B1 Process for producing pyrido[1,2-a] pyrimidine derivative WAKO PURE CHEM IND LTD (JP) 1996-04-24 EP disclosed
US-5081243-A Process for producing 3-tetrazolyl pyrido[1,2-a]pyrimidine derivatives WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1992-01-14 US disclosed
EP-0385634-A2 Process for producing pyrido[1,2-a] pyrimidine derivative WAKO PURE CHEMICAL INDUSTRIES LTD (JP) 1990-09-05 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 (11 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-20140080817-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2C, GRIN2A FFAR1 308/4885NPC1 2319/4885RAB9A 2581/4885
US-20190263832-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2C, GRIN2A FFAR1 308/4885NPC1 2319/4885RAB9A 2581/4885
US-20130190291-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2C, GRIN2A FFAR1 308/4885NPC1 2319/4885RAB9A 2581/4885
US-20200317692-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2C, GRIN2A FFAR1 308/4885NPC1 2319/4885RAB9A 2581/4885
US-20240360156-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2C, GRIN2A FFAR1 308/4885NPC1 2319/4885RAB9A 2581/4885
US-20180162875-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2C, GRIN2A FFAR1 308/4885NPC1 2319/4885RAB9A 2581/4885
US-10654874-B2 Heterocyclic compound and use thereof GRIN1, GRIN2C, GRIN2A FFAR1 308/4885NPC1 2319/4885RAB9A 2581/4885
US-11279713-B2 Heterocyclic compound and use thereof GRIN1, GRIN2C, GRIN2A FFAR1 308/4885NPC1 2319/4885RAB9A 2581/4885
US-20130184266-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2C, GRIN2A FFAR1 308/4885NPC1 2319/4885RAB9A 2581/4885
US-20170022222-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2C, GRIN2A FFAR1 308/4885NPC1 2319/4885RAB9A 2581/4885
US-20120077799-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2C, GRIN2A FFAR1 308/4885NPC1 2319/4885RAB9A 2581/4885

“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.