SCHEMBL2543846

SCHEMBL2543846

c1ccc(N2CCN(n3cc4ccccc4c3)CC2)nc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLD1 Q13393 1/20 0.53
SORD Q00796 1/20 0.50
MAPT P10636 4/20 0.49
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 2/20 0.49
RAB9A P51151 2/20 0.49
POLB P06746 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
MAPK1 P28482 2/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
DHFR P00374 1/20 0.47
NPC1 O15118 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL2547422 0.83 MAPT (0.55) SORDMAPTALDH1A1KDM4ERAB9A
SCHEMBL29857922 0.82 PLD1 (0.73) PLD1SORDMAPTALDH1A1KDM4E
SCHEMBL15800694 0.82 PLD1 (0.73) PLD1SORDMAPTALDH1A1KDM4E
SCHEMBL21353591 0.82
SCHEMBL2544284 0.78 HTR3A (0.65) MAPTALDH1A1RAB9ANPC1HTT
SCHEMBL2539339 0.75 HTR2A (0.60) MAPTALDH1A1KDM4ESLC6A4
SCHEMBL29462629 0.74 PLD1 (0.68) PLD1SORDMAPTALDH1A1KDM4E
SCHEMBL18228078 0.74 PLD1 (0.68) PLD1SORDMAPTALDH1A1KDM4E
SCHEMBL230367 0.74 PLD1 (0.68) PLD1SORDMAPTALDH1A1KDM4E
SCHEMBL157489 0.74 PLD1 (0.68) PLD1SORDMAPTALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2563790-B1 A PROCESS OF A QUATERNARY AMMONIUM SALT SUMITOMO DAINIPPON PHARMA CO LTD (JP) 2016-09-14 EP disclosed
US-9309255-B2 Process of a quaternary ammonium salt SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2016-04-12 US disclosed
US-20150087830-A1 PROCESS OF A QUATERNARY AMMONIUM SALT SUMITOMO DAINIPPON PHARMA CO., LTD 2015-03-26 US disclosed
US-8921551-B2 Process of a quaternary ammonium salt SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2014-12-30 US disclosed
EP-2563791-B1 A PROCESS OF A QUATERNARY AMMONIUM SALT USING PHOSPHATE SUMITOMO DAINIPPON PHARMA CO LTD (JP) 2014-12-24 EP disclosed
US-20140256939-A1 PROCESS OF PREPARING A QUATERNARY AMMONIUM SALT USING PHOSPHATE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2014-09-11 US disclosed
US-20140031548-A1 PROCESS OF A QUATERNARY AMMONIUM SALT USING PHOSPHATE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2014-01-30 US disclosed
US-8586737-B2 Process of a quaternary ammonium salt using phosphate DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-11-19 US disclosed
WO-2011136384-A1 A PROCESS OF A QUATERNARY AMMONIUM SALT USING PHOSPHATE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-11-03 WO disclosed
WO-2011136383-A1 A PROCESS OF A QUATERNARY AMMONIUM SALT DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-11-03 WO disclosed
US-20110263847-A1 PROCESS OF A QUATERNARY AMMONIUM SALT DAINIPPON SUMITOMO PHARMA CO, LTD. (JP) 2011-10-27 US disclosed
US-20110263848-A1 PROCESS OF A QUATERNARY AMMONIUM SALT USING PHOSPHATE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-10-27 US 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-20150087830-A1 PROCESS OF A QUATERNARY AMMONIUM SALT KAT5, ATP1B2, QARS1 PLD1 3522/4885SORD 3101/4885MAPT 2417/4885
US-20140031548-A1 PROCESS OF A QUATERNARY AMMONIUM SALT USING PHOSPHATE PHPT1, SLC34A2, SLC34A3 PLD1 2681/4885SORD 2292/4885MAPT 2969/4885
US-20110263847-A1 PROCESS OF A QUATERNARY AMMONIUM SALT KAT5, ATP1B2, QARS1 PLD1 3522/4885SORD 3101/4885MAPT 2417/4885
US-20110263848-A1 PROCESS OF A QUATERNARY AMMONIUM SALT USING PHOSPHATE PHPT1, SLC34A2, SLC34A3 PLD1 2681/4885SORD 2292/4885MAPT 2969/4885
US-20140256939-A1 PROCESS OF PREPARING A QUATERNARY AMMONIUM SALT USING PHOSPHATE AGPS, SLC34A3, SLC34A1 PLD1 2771/4885SORD 2384/4885MAPT 3084/4885

“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.