SCHEMBL624461

SCHEMBL624461

Nc1ncccc1C1CCC(c2ccccc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.42
KDM1A O60341 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
HTR1A P08908 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
SLC18A3 Q16572 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
TRPV6 Q9H1D0 1/20 0.40
PDK2 Q15119 1/20 0.40
PRKCI P41743 1/20 0.39
NR3C1 P04150 3/20 0.38
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
NAPRT Q6XQN6 1/20 0.37

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
SCHEMBL30469945 0.89 PDK2 (0.46) HTR1ASLC6A2SLC6A4SLC6A3PDK2
SCHEMBL934667 0.89 PDK2 (0.46) HTR1ASLC6A2SLC6A4SLC6A3PDK2
Potassium SCHEMBL29930626 0.87 PDK2 (0.45) HTR1ASLC6A2SLC6A4SLC6A3PDK2
SCHEMBL5954915 0.82 NOS1 (0.42) HTR1ASLC6A2SLC6A4SLC6A3PDK2
SCHEMBL28763152 0.82 NOS3 (0.42) HTR1ASLC6A2SLC6A4SLC6A3PDK2
SCHEMBL2718434 0.80 CYP11B2 (0.43) HTR1ASLC6A2SLC6A4SLC6A3PDK2
SCHEMBL1693643 0.77 PDE10A (0.42)
SCHEMBL1429509 0.77 HTR1A (0.55) HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL17477141 0.75 HTR1D (0.43) HTR1ANOS3NOS1NOS2ADRA1A
SCHEMBL24364886 0.73 NOS3 (0.41) KDM1AMAOAMAOBPDK2NOS3

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 24 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-20150073137-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-03-12 US disclosed
US-8916551-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-12-23 US disclosed
US-8778934-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-07-15 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 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 DHFR 373/4885KDM1A 934/4885MAOA 164/4885
US-20190263832-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2C, GRIN2A DHFR 373/4885KDM1A 934/4885MAOA 164/4885
US-20130190291-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2C, GRIN2A DHFR 373/4885KDM1A 934/4885MAOA 164/4885
US-20200317692-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2C, GRIN2A DHFR 373/4885KDM1A 934/4885MAOA 164/4885
US-20240360156-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2C, GRIN2A DHFR 373/4885KDM1A 934/4885MAOA 164/4885
US-20180162875-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2C, GRIN2A DHFR 373/4885KDM1A 934/4885MAOA 164/4885
US-10654874-B2 Heterocyclic compound and use thereof GRIN1, GRIN2C, GRIN2A DHFR 373/4885KDM1A 934/4885MAOA 164/4885
US-11279713-B2 Heterocyclic compound and use thereof GRIN1, GRIN2C, GRIN2A DHFR 373/4885KDM1A 934/4885MAOA 164/4885
US-20130184266-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2C, GRIN2A DHFR 373/4885KDM1A 934/4885MAOA 164/4885
US-20150073137-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2C, GRIN2A DHFR 373/4885KDM1A 934/4885MAOA 164/4885
US-20170022222-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2C, GRIN2A DHFR 373/4885KDM1A 934/4885MAOA 164/4885
US-20120077799-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2C, GRIN2A DHFR 373/4885KDM1A 934/4885MAOA 164/4885

“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.