SCHEMBL5374765

SCHEMBL5374765

S=C1Nc2ccccc2CN1C1CC[N]CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 3/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
HSP90AA1 P07900 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
HK1 P19367 1/20 0.39
MAPK1 P28482 1/20 0.39
RECQL P46063 1/20 0.39
RAB9A P51151 1/20 0.39
GALK1 P51570 1/20 0.39
BLM P54132 1/20 0.39
KMT2A Q03164 1/20 0.39
HKDC1 Q2TB90 1/20 0.39
BRD4 O60885 1/20 0.38
CREBBP Q92793 1/20 0.38
HTR5A P47898 3/20 0.37
CALCRL Q16602 5/20 0.37
CTSS P25774 3/20 0.34

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
SCHEMBL14417234 0.85 HTR2C (0.43) QPCTKDM4EMEN1NPC1HSP90AA1
SCHEMBL3279615 0.83 BRD4 (0.50) BRD4CREBBPCALCRLCTSS
SCHEMBL14410248 0.79 PARP1 (0.45) QPCTBRD4CREBBPCALCRLCTSS
SCHEMBL5377735 0.76 OPRM1 (0.49) CALCRLCTSS
SCHEMBL5369548 0.75 BRD4 (0.33) BRD4CREBBPHTR5ACALCRLCTSS
SCHEMBL2872824 0.72 BRD4 (0.56) BRD4CREBBPCALCRLCTSS
SCHEMBL3278838 0.72 CALCRL (0.44) NPC1MAPTBRD4CREBBPCALCRL
SCHEMBL1398055 0.71 CRBN (0.46) QPCTKDM4EMEN1NPC1HSP90AA1
SCHEMBL13078005 0.70 BRD4 (0.53) BRD4CREBBPCALCRLCTSS
SCHEMBL27410535 0.68 MAPT (0.47) QPCTKDM4EMEN1NPC1HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070208036-A1 Arylalkanes, arylalkenes and aryl-azaalkanes, pharmaceutical compositions containing these compounds and processes for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-09-06 US claimed
US-20070208036-A1 Arylalkanes, arylalkenes and aryl-azaalkanes, pharmaceutical compositions containing these compounds and processes for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-09-06 US disclosed
US-7230001-B1 Arylalkane, arylalkene and aryl azaalkane, medicaments containing said compounds and method for the production thereof BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-06-12 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 (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-20070208036-A1 Arylalkanes, arylalkenes and aryl-azaalkanes, pharmaceutical compositions containing these compounds and processes for preparing them ARRB1, NPY1R, ADRB3 QPCT 1686/4885KDM4E 4284/4885MEN1 1691/4885

“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.