SCHEMBL6344784

SCHEMBL6344784

O=C(Cl)Cc1ccccc1CCCN1CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.54
SIGMAR1 Q99720 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.50
KMT2A Q03164 5/20 0.48
MEN1 O00255 2/20 0.48
ALDH1A1 P00352 4/20 0.47
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.46
HTR7 P34969 2/20 0.45
HTT P42858 1/20 0.44
LMNA P02545 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CYP2C19 P33261 1/20 0.44
EPHX2 P34913 1/20 0.44

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
SCHEMBL1967517 0.87 POLB (0.59) POLBSIGMAR1SMN1; SMN2KMT2AMEN1
SCHEMBL4109579 0.78 CYP2A13 (0.66) POLBSIGMAR1SMN1; SMN2KMT2AALDH1A1
SCHEMBL23926333 0.78 SIGMAR1 (0.61) POLBSIGMAR1SMN1; SMN2KMT2AMEN1
SCHEMBL1385121 0.78 PARP1 (0.54) POLBSIGMAR1SMN1; SMN2KMT2AMEN1
SCHEMBL9290354 0.76 POLB (0.55) POLBSIGMAR1SMN1; SMN2KMT2AMEN1
SCHEMBL24700058 0.75 POLB (0.58) POLBSIGMAR1SMN1; SMN2KMT2AMEN1
SCHEMBL15308540 0.75 CYP2A13 (0.66) POLBSIGMAR1SMN1; SMN2KMT2AMEN1
SCHEMBL6598568 0.74 ALDH1A1 (0.50) POLBSMN1; SMN2KMT2AMEN1ALDH1A1
Hydrochloric Acid SCHEMBL8521067 0.73 ALDH1A1 (0.50) SMN1; SMN2KMT2AALDH1A1MAPTLMNA
SCHEMBL7526237 0.72 PARP1 (0.54) POLBSIGMAR1SMN1; SMN2KMT2AMEN1

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 6 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-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
US-20120115863-A1 COMPOUNDS FOR THE TREATMENT OF CNS DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-10 US 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 1324/4885SMN1; SMN2 764/4885

“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.