SCHEMBL15847729

SCHEMBL15847729

CN1CCc2cccc3c2C1CC3=O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 12/20 0.72
HTR1A P08908 9/20 0.72
DRD1 P21728 3/20 0.62
HTR2A P28223 3/20 0.60
HTR7 P34969 2/20 0.60
KDM4E B2RXH2 2/20 0.58
MEN1 O00255 2/20 0.58
ALDH1A1 P00352 2/20 0.58
TP53 P04637 2/20 0.58
CYP1A2 P05177 2/20 0.58
CYP3A4 P08684 2/20 0.58
MAPT P10636 2/20 0.58
CYP2C9 P11712 2/20 0.58
PKM P14618 2/20 0.58
HPGD P15428 2/20 0.58
MAPK1 P28482 2/20 0.58
MDM2 Q00987 2/20 0.58
KMT2A Q03164 2/20 0.58
HSD17B10 Q99714 2/20 0.58
SLC22A1 O15245 1/20 0.58

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
SCHEMBL10640578 0.86 DRD2 (0.61) DRD2HTR1ADRD1HTR2AHTR7
Hydrochloric Acid SCHEMBL10636899 0.85 DRD2 (0.60) DRD2HTR1ADRD1HTR2AHTR7
SCHEMBL59765 0.84 DRD2 (1.00) DRD2HTR1ADRD1HTR2AHTR7
SCHEMBL31029854 0.84 DRD2 (1.00) DRD2HTR1ADRD1HTR2AHTR7
SCHEMBL29723260 0.84 DRD2 (1.00) DRD2HTR1ADRD1HTR2AHTR7
SCHEMBL25173335 0.84 DRD2 (1.00) DRD2HTR1ADRD1HTR2AHTR7
SCHEMBL31079473 0.84 DRD2 (1.00) DRD2HTR1ADRD1HTR2AHTR7
Bromide SCHEMBL11710282 0.83 DRD2 (0.97) DRD2HTR1ADRD1HTR2AHTR7
SCHEMBL28809991 0.83 DRD2 (0.97) DRD2HTR1ADRD1HTR2AHTR7
Hydrochloric Acid SCHEMBL11707353 0.83 DRD2 (0.97) DRD2HTR1ADRD1HTR2AHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020147848-A1 TRICYCLIC SUBSTITUTED OXASPIRO DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL USE THEREOF 上海海雁医药科技有限公司 2020-07-23 WO disclosed
EP-2938341-B1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC (US) 2018-09-05 EP disclosed
US-9884844-B2 Heterocyclic compounds and methods of use thereof SUNOVION PHARMACEUTICALS, INC. (US) 2018-02-06 US disclosed
US-9884844-B2 Heterocyclic compounds and methods of use thereof SUNOVION PHARMACEUTICALS, INC. (US) 2018-02-06 US disclosed
US-9884844-B2 Heterocyclic compounds and methods of use thereof SUNOVION PHARMACEUTICALS, INC. (US) 2018-02-06 US disclosed
US-20150336928-A1 Heterocyclic Compounds And Methods Of Use Thereof SUNOVION PHARMACEUTICALS INC. 2015-11-26 US disclosed
US-20150336928-A1 Heterocyclic Compounds And Methods Of Use Thereof SUNOVION PHARMACEUTICALS INC. 2015-11-26 US disclosed
US-20150336928-A1 Heterocyclic Compounds And Methods Of Use Thereof SUNOVION PHARMACEUTICALS INC. 2015-11-26 US disclosed
EP-2938341-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF Sunovion Pharmaceuticals Inc. (US) 2015-11-04 EP disclosed
WO-2014106238-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF FANG, QUN, KEVIN (US) 2014-07-03 WO disclosed
WO-2014106238-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF FANG, QUN, KEVIN (US) 2014-07-03 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 (1 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-20150336928-A1 Heterocyclic Compounds And Methods Of Use Thereof GRIN2C, COMT, NLN DRD2 281/4885HTR1A 217/4885DRD1 653/4885

“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.