SCHEMBL2547422

SCHEMBL2547422

c1cnc(N2CCN(n3cc4ccccc4c3)CC2)nc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.55
LMNA P02545 2/20 0.55
RAB9A P51151 2/20 0.53
NPC1 O15118 1/20 0.53
GAA P10253 2/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 3/20 0.43
SORD Q00796 1/20 0.43
POLB P06746 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL2543846 0.83 PLD1 (0.53) MAPTLMNARAB9ANPC1HTT
SCHEMBL2539339 0.78 HTR2A (0.60) MAPTGAAALDH1A1KDM4ETSHR
SCHEMBL10498542 0.76 LMNA (0.70) MAPTLMNARAB9ANPC1GAA
SCHEMBL6663539 0.76
SCHEMBL2544284 0.73 HTR3A (0.65) MAPTRAB9ANPC1GAAHTT
SCHEMBL4455153 0.71 MAPT (1.00) MAPTLMNARAB9ANPC1GAA
SCHEMBL2548196 0.70 HTR1A (0.57) MAPTLMNAALDH1A1KDM4ETSHR
Hydrochloric Acid SCHEMBL27824015 0.69 MAPT (0.96) MAPTLMNARAB9ANPC1GAA
Hydrochloric Acid SCHEMBL7716603 0.69 MAPT (0.96) MAPTLMNARAB9ANPC1GAA
SCHEMBL10834346 0.69 HTR3A (0.69) MAPTLMNARAB9ANPC1GAA

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 MAPT 2417/4885LMNA 3833/4885RAB9A 1344/4885
US-20140031548-A1 PROCESS OF A QUATERNARY AMMONIUM SALT USING PHOSPHATE PHPT1, SLC34A2, SLC34A3 MAPT 2969/4885LMNA 4296/4885RAB9A 1877/4885
US-20110263847-A1 PROCESS OF A QUATERNARY AMMONIUM SALT KAT5, ATP1B2, QARS1 MAPT 2417/4885LMNA 3833/4885RAB9A 1344/4885
US-20110263848-A1 PROCESS OF A QUATERNARY AMMONIUM SALT USING PHOSPHATE PHPT1, SLC34A2, SLC34A3 MAPT 2969/4885LMNA 4296/4885RAB9A 1877/4885
US-20140256939-A1 PROCESS OF PREPARING A QUATERNARY AMMONIUM SALT USING PHOSPHATE AGPS, SLC34A3, SLC34A1 MAPT 3084/4885LMNA 3957/4885RAB9A 1466/4885

“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.