SCHEMBL12820177

SCHEMBL12820177

CCC1CCN(CCS(C)(=O)=O)CC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.34
SIGMAR1 Q99720 1/20 0.34
ALDH1A1 P00352 2/20 0.33
NCF1 P14598 1/20 0.33
MAPK1 P28482 1/20 0.33
GNAO1 P09471 3/20 0.33
RORC P51449 1/20 0.32
SLC6A4 P31645 1/20 0.31
KCNH2 Q12809 1/20 0.31
GNAI3 P08754 2/20 0.31
GNAI1 P63096 2/20 0.31
GAA P10253 1/20 0.31
PRMT6 Q96LA8 1/20 0.30

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
SCHEMBL13108616 0.85 GNAO1 (0.41) DRD2SIGMAR1ALDH1A1GNAO1KCNH2
SCHEMBL4373218 0.85 ALDH1A1 (0.33) DRD2SIGMAR1ALDH1A1NCF1MAPK1
SCHEMBL664708 0.83 ALDH1A1 (0.33) DRD2SIGMAR1ALDH1A1NCF1MAPK1
SCHEMBL4373223 0.83 SYK (0.37) ALDH1A1NCF1MAPK1GNAO1SLC6A4
SCHEMBL16127619 0.82 GNAO1 (0.45) DRD2ALDH1A1GNAO1KCNH2GNAI3
SCHEMBL16106672 0.82 ALDH1A1 (0.36) DRD2SIGMAR1ALDH1A1MAPK1KCNH2
SCHEMBL4375093 0.81 ALDH1A1 (0.35) DRD2SIGMAR1ALDH1A1NCF1MAPK1
SCHEMBL666149 0.81 ALDH1A1 (0.35) DRD2ALDH1A1NCF1MAPK1GNAO1
SCHEMBL17850278 0.80 ALDH1A1 (0.34) ALDH1A1NCF1MAPK1GNAO1PRMT6
SCHEMBL22309846 0.80 TLR9 (0.34) ALDH1A1MAPK1PRMT6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9718815-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2017-08-01 US disclosed
US-9546180-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2017-01-17 US disclosed
US-20160235758-A1 COMBINATION OF MTOR INHIBITORS AND PI3-KINASE INHIBITORS, AND USES THEREOF INTELLIKINE LLC 2016-08-18 US disclosed
EP-2966076-A1 NOVEL TYROSINE KINASE INHIBITORS ChemBridge Corporation (US) 2016-01-13 EP disclosed
US-9181221-B2 Chemical compounds, compositions and methods for kinase modulation INFINITY PHARMACEUTICALS, INC. (US) 2015-11-10 US disclosed
US-20150126506-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2015-05-07 US disclosed
US-20150105385-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2015-04-16 US disclosed
US-8969363-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2015-03-03 US disclosed
US-20140288048-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2014-09-25 US disclosed
US-20140088099-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION INFINITY PHARMACEUTICALS, INC. (US) 2014-03-27 US disclosed
US-20130053362-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLKINE, LLC (US) 2013-02-28 US disclosed
US-20130029982-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, LLC (US) 2013-01-31 US disclosed
US-20130029984-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, LLC (US) 2013-01-31 US disclosed
US-20110294780-A1 SUBSTITUTED THIAZOLIDINEDIONE INDAZOLES, INDOLES AND BENZOTRIAZOLES AS ESTROGEN-RELATED RECEPTOR-a MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-12-01 US disclosed
WO-2011029915-A1 ETHER DERIVATIVES OF BICYCLIC HETEROARYLS NOVARTIS AG (CH) 2011-03-17 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 (9 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-20140288048-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AKT3, PIK3CA, AKT1 DRD2 4627/4885SIGMAR1 2579/4885ALDH1A1 3879/4885
US-20150126506-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB DRD2 4632/4885SIGMAR1 2584/4885ALDH1A1 3154/4885
US-20130053362-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AKT3, PIK3CA, AKT1 DRD2 4627/4885SIGMAR1 2579/4885ALDH1A1 3879/4885
US-20130029982-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB DRD2 4632/4885SIGMAR1 2584/4885ALDH1A1 3154/4885
US-20150105385-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB DRD2 4632/4885SIGMAR1 2584/4885ALDH1A1 3154/4885
US-20140088099-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION MAP3K13, AKT3, PIK3CA DRD2 4649/4885SIGMAR1 3872/4885ALDH1A1 4410/4885
US-20110294780-A1 SUBSTITUTED THIAZOLIDINEDIONE INDAZOLES, INDOLES AND BENZOTRIAZOLES AS ESTROGEN-RELATED RECEPTOR-a MODULATORS ESR2, IGF1R, ESRRA DRD2 3404/4885SIGMAR1 3841/4885ALDH1A1 2148/4885
US-20160235758-A1 COMBINATION OF MTOR INHIBITORS AND PI3-KINASE INHIBITORS, AND USES THEREOF MTOR, RPTOR, RICTOR DRD2 4883/4885SIGMAR1 3173/4885ALDH1A1 4784/4885
US-20130029984-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB DRD2 4632/4885SIGMAR1 2584/4885ALDH1A1 3154/4885

“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.