SCHEMBL1967517

SCHEMBL1967517

O=C(O)Cc1ccccc1CCCN1CCOCC1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.59
SIGMAR1 Q99720 1/20 0.59
KMT2A Q03164 5/20 0.52
MEN1 O00255 2/20 0.52
ALDH1A1 P00352 4/20 0.51
MAPT P10636 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
KDM4E B2RXH2 1/20 0.50
PLK1 P53350 1/20 0.48
OPRM1 P35372 1/20 0.48
OPRD1 P41143 1/20 0.48
HTT P42858 1/20 0.48
LMNA P02545 1/20 0.48
CYP2C19 P33261 1/20 0.48
EPHX2 P34913 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
SCHEMBL9290354 0.88 POLB (0.55) POLBSIGMAR1KMT2AMEN1ALDH1A1
SCHEMBL6344784 0.87 POLB (0.54) POLBSIGMAR1KMT2AMEN1ALDH1A1
SCHEMBL304670 0.82 CYP2A13 (0.57) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL23926333 0.79 SIGMAR1 (0.61) POLBSIGMAR1KMT2AMEN1ALDH1A1
SCHEMBL1385121 0.79 PARP1 (0.54) POLBSIGMAR1KMT2AMEN1ALDH1A1
SCHEMBL6689247 0.77 DRD1 (0.68) POLBKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL24700058 0.77 POLB (0.58) POLBSIGMAR1KMT2AMEN1SMN1; SMN2
SCHEMBL4109579 0.76 CYP2A13 (0.66) POLBSIGMAR1KMT2AALDH1A1SMN1; SMN2
SCHEMBL15308540 0.76 CYP2A13 (0.66) POLBSIGMAR1KMT2AMEN1SMN1; SMN2
SCHEMBL10909317 0.75 POLB (0.52) POLBSIGMAR1KMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2334684-B1 PYRAZOLOPYRIMIDINES AND THEIR USE FOR THE TREATMENT OF CNS DISORDERS BOEHRINGER INGELHEIM INT (DE) 2017-08-02 EP disclosed
US-9079905-B2 Compounds for the treatment of CNS disorders BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-14 US disclosed
US-20120115863-A1 COMPOUNDS FOR THE TREATMENT OF CNS DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-10 US disclosed
EP-2334684-A1 PYRAZOLOPYRIMIDINES AND THEIR USE FOR THE TREATMENT OF CNS DISORDERS Boehringer Ingelheim International GmbH (DE) 2011-06-22 EP disclosed
WO-2010026214-A1 PYRAZOLOPYRIMIDINES AND THEIR USE FOR THE TREATMENT OF CNS DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-11 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-20120115863-A1 COMPOUNDS FOR THE TREATMENT OF CNS DISORDERS CNR1, CNR2, CHRM5 POLB 3923/4885SIGMAR1 1324/4885KMT2A 2095/4885

“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.