SCHEMBL624624

SCHEMBL624624

CC1(C)c2ccccc2Oc2c(P(c3ccccc3)c3ccccc3)cccc21

nearest known ligand 0.82

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 2/20 0.82
CYP3A4 P08684 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
AHR P35869 1/20 0.32

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
SCHEMBL31329325 1.00 DRD1 (0.82) DRD1CYP3A4TDP1AHR
SCHEMBL29351143 0.91 DRD1 (1.00) DRD1CYP3A4TDP1
SCHEMBL6953 0.91 DRD1 (1.00) DRD1CYP3A4TDP1
SCHEMBL29359136 0.91 DRD1 (1.00) DRD1CYP3A4TDP1
SCHEMBL25373924 0.89 DRD1 (0.97) DRD1CYP3A4TDP1
Ammonia Solution, Strong SCHEMBL19127610 0.89 DRD1 (0.97) DRD1CYP3A4TDP1
SCHEMBL38656170 0.89 DRD1 (0.97) DRD1CYP3A4TDP1
SCHEMBL15209802 0.89 DRD1 (0.97) DRD1CYP3A4TDP1
SCHEMBL17743663 0.89 DRD1 (0.97) DRD1CYP3A4TDP1
Hydrochloric Acid SCHEMBL28990395 0.89 DRD1 (0.97) DRD1CYP3A4TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115611878-A 3-arylamine (acylamino) pyridine oxazoline chiral ligand and preparation and application thereof 贵州大学 2023-01-17 CN 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
CN-110023287-A Pesticidally active heterocyclic derivatives with sulphur containing substituents 先正达参股股份有限公司 2019-07-16 CN 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
CN-103180326-A Heterocyclic compounds and their use TAKEDA PHARMACEUTICAL 2013-06-26 CN disclosed
EP-2603513-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2013-06-19 EP disclosed
US-8383642-B2 Spiropiperidine compounds ELI LILLY AND COMPANY (US) 2013-02-26 US disclosed
EP-2518059-A1 4-AMINO-1,3-THIAZINE OR OXAZINE DERIVATIVE Shionogi & Co., Ltd. (JP) 2012-10-31 EP disclosed
US-20120258961-A1 4-AMINO-1,3-THIAZINE OR OXAZINE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2012-10-11 US disclosed
EP-2488500-A1 SPIROPIPERIDINE COMPOUNDS AND PHARMACEUTICAL USE THEREOF FOR TREATING DIABETES Eli Lilly and Company (US) 2012-08-22 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
US-20110092531-A1 Novel Spiropiperidine Compounds ELI LILLY AND COMPANY (US) 2011-04-21 US disclosed
WO-2011046851-A1 SPIROPIPERIDINE COMPOUNDS AND PHARMACEUTICAL USE THEREOF FOR TREATING DIABETES ELI LILLY AND COMPANY (US) 2011-04-21 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 (8 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-20190263832-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2C, GRIN2A DRD1 119/4885CYP3A4 1896/4885TDP1 813/4885
US-20110092531-A1 Novel Spiropiperidine Compounds REN, SLC5A1, SLC5A2 DRD1 413/4885CYP3A4 621/4885TDP1 4058/4885
US-20200317692-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2C, GRIN2A DRD1 119/4885CYP3A4 1896/4885TDP1 813/4885
US-20180162875-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2C, GRIN2A DRD1 119/4885CYP3A4 1896/4885TDP1 813/4885
US-10654874-B2 Heterocyclic compound and use thereof GRIN1, GRIN2C, GRIN2A DRD1 119/4885CYP3A4 1896/4885TDP1 813/4885
US-20120258961-A1 4-AMINO-1,3-THIAZINE OR OXAZINE DERIVATIVE APP, IAPP, APBA1 DRD1 1441/4885CYP3A4 917/4885TDP1 1998/4885
US-20170022222-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2C, GRIN2A DRD1 119/4885CYP3A4 1896/4885TDP1 813/4885
US-20120077799-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2C, GRIN2A DRD1 119/4885CYP3A4 1896/4885TDP1 813/4885

“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.