SCHEMBL15537231

SCHEMBL15537231

c1ccc(CN2CCCC(c3ccnc(SCCN4CCCC4)n3)C2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 2/20 0.45
ALDH1A1 P00352 3/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CYP3A4 P08684 3/20 0.44
CYP2D6 P10635 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 1/20 0.44
ROCK1 Q13464 2/20 0.43
KCNH2 Q12809 2/20 0.43
ROCK2 O75116 1/20 0.43
CYP2C9 P11712 2/20 0.43
LTA4H P09960 1/20 0.43
DRD2 P14416 2/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42
HTR1A P08908 1/20 0.42
CXCR4 P61073 1/20 0.41
HPGDS O60760 1/20 0.41
GRIN2B Q13224 2/20 0.41
HTR2A P28223 1/20 0.40

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
SCHEMBL20746672 0.86 PDE2A (0.47) PDE2AHTR1A
SCHEMBL17898213 0.79 CYP3A4 (0.53) PDE2AALDH1A1CYP3A4CYP2D6CYP1A2
SCHEMBL28011532 0.76 PDE2A (0.47) PDE2AALDH1A1CYP3A4CYP2D6CYP1A2
SCHEMBL13490514 0.75 CYP3A4 (0.58) PDE2AALDH1A1CYP3A4CYP2D6CYP1A2
SCHEMBL171619 0.72 PDE2A (0.55) PDE2AALDH1A1CYP3A4CYP2D6CYP1A2
SCHEMBL13490665 0.70 CYP3A4 (0.50) PDE2AALDH1A1CYP3A4CYP2D6CYP1A2
SCHEMBL13490502 0.69 PDE2A (0.49) PDE2AALDH1A1CYP3A4CYP2D6CYP1A2
SCHEMBL13490598 0.69 CYP2D6 (0.51) PDE2AALDH1A1CYP3A4CYP2D6CYP1A2
SCHEMBL28226193 0.68 CYP1A2 (0.66) ALDH1A1CYP3A4CYP2D6CYP1A2CYP2C19
SCHEMBL17898201 0.67 PDE2A (0.45) PDE2ACYP2D6KCNH2DRD2HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10562883-B2 Heterocycles capable of modulating T-cell responses, and methods of using same NOGRA PHARMA LIMITED (IE) 2020-02-18 US disclosed
US-10562883-B2 Heterocycles capable of modulating T-cell responses, and methods of using same NOGRA PHARMA LIMITED (IE) 2020-02-18 US disclosed
US-10208017-B2 Heterocycles capable of modulating T-cell responses, and methods of using same NOGRA PHARMA LIMITED (IE) 2019-02-19 US disclosed
US-10208017-B2 Heterocycles capable of modulating T-cell responses, and methods of using same NOGRA PHARMA LIMITED (IE) 2019-02-19 US disclosed
EP-2861563-B1 BICYCLIC HETEROCYCLES CAPABLE OF MODULATING T-CELL RESPONSES, AND METHODS OF USING SAME NOGRA PHARMA LTD (IE) 2017-07-12 EP disclosed
US-20170183313-A1 BICYCLIC HETEROCYCLES CAPABLE OF MODULATING T-CELL RESPONSES, AND METHODS OF USING SAME NOGRA PHARMA LTD (IE) 2017-06-29 US disclosed
US-20170183313-A1 BICYCLIC HETEROCYCLES CAPABLE OF MODULATING T-CELL RESPONSES, AND METHODS OF USING SAME NOGRA PHARMA LTD (IE) 2017-06-29 US disclosed
US-20160194303-A1 HETEROCYCLES CAPABLE OF MODULATING T-CELL RESPONSES, AND METHODS OF USING SAME NOGRA PHARMA LIMITED (IE) 2016-07-07 US disclosed
US-20160194303-A1 HETEROCYCLES CAPABLE OF MODULATING T-CELL RESPONSES, AND METHODS OF USING SAME NOGRA PHARMA LIMITED (IE) 2016-07-07 US disclosed
US-20160194303-A1 HETEROCYCLES CAPABLE OF MODULATING T-CELL RESPONSES, AND METHODS OF USING SAME NOGRA PHARMA LIMITED (IE) 2016-07-07 US disclosed
US-20150126553-A1 BICYCLIC HETEROCYCLES CAPABLE OF MODULATING T-CELL RESPONSES, AND METHODS OF USING SAME NOGRA PHARMA LIMITED (IE) 2015-05-07 US disclosed
US-20150126553-A1 BICYCLIC HETEROCYCLES CAPABLE OF MODULATING T-CELL RESPONSES, AND METHODS OF USING SAME NOGRA PHARMA LIMITED (IE) 2015-05-07 US disclosed
EP-2861575-A1 HETEROCYCLES CAPABLE OF MODULATING T-CELL RESPONSES, AND METHODS OF USING SAME Nogra Pharma Limited (IE) 2015-04-22 EP disclosed
WO-2013178816-A1 HETEROCYCLES CAPABLE OF MODULATING T-CELL RESPONSES, AND METHODS OF USING SAME NOGRA PHARMA LIMITED (IE) 2013-12-05 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 (5 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-20150126553-A1 BICYCLIC HETEROCYCLES CAPABLE OF MODULATING T-CELL RESPONSES, AND METHODS OF USING SAME NFATC1, RORC, ICOS PDE2A 706/4885ALDH1A1 492/4885NPSR1 2607/4885
US-20160194303-A1 HETEROCYCLES CAPABLE OF MODULATING T-CELL RESPONSES, AND METHODS OF USING SAME ICOS, NFATC1, CD74 PDE2A 706/4885ALDH1A1 1481/4885NPSR1 2314/4885
US-10562883-B2 Heterocycles capable of modulating T-cell responses, and methods of using same ICOS, NFATC1, CD74 PDE2A 706/4885ALDH1A1 1481/4885NPSR1 2314/4885
US-10208017-B2 Heterocycles capable of modulating T-cell responses, and methods of using same ICOS, NFATC1, CD74 PDE2A 706/4885ALDH1A1 1481/4885NPSR1 2314/4885
US-20170183313-A1 BICYCLIC HETEROCYCLES CAPABLE OF MODULATING T-CELL RESPONSES, AND METHODS OF USING SAME NFATC1, RORC, ICOS PDE2A 695/4885ALDH1A1 482/4885NPSR1 2565/4885

“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.