SCHEMBL79601

SCHEMBL79601

C1CCN(CCOC2CCNCC2)CC1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.63
HRH3 Q9Y5N1 5/20 0.40
RAD52 P43351 1/20 0.39
HRH1 P35367 1/20 0.36
CXCR4 P61073 2/20 0.36
LTA4H P09960 1/20 0.36
MCHR1 Q99705 1/20 0.35
CYP1A2 P05177 1/20 0.34
PSMB1 P20618 1/20 0.34
PSMB5 P28074 1/20 0.34
PSMB2 P49721 1/20 0.34
KCNH2 Q12809 1/20 0.33
GNAI3 P08754 1/20 0.33
GNAO1 P09471 1/20 0.33
GNAI1 P63096 1/20 0.33

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
SCHEMBL77295 0.98 NPC1 (0.60) NPC1HRH3RAD52HRH1CXCR4
SCHEMBL19023072 0.94 NPC1 (0.60) NPC1HRH3RAD52CXCR4MCHR1
SCHEMBL11533661 0.89 NPC1 (0.55) NPC1HRH3RAD52HRH1CXCR4
SCHEMBL2146521 0.89 NPC1 (0.55) NPC1HRH3RAD52HRH1CXCR4
Hydrochloric Acid SCHEMBL31400357 0.88 NPC1 (0.53) NPC1HRH3RAD52HRH1CXCR4
SCHEMBL2146296 0.87 NPC1 (0.52) NPC1HRH3CXCR4LTA4HMCHR1
SCHEMBL6450746 0.86 HRH3 (0.48) NPC1HRH3CXCR4GNAI3GNAO1
SCHEMBL6446592 0.86 HRH3 (0.48) NPC1HRH3CXCR4GNAI3GNAO1
SCHEMBL10363523 0.85 NPC1 (0.75) NPC1HRH3RAD52CXCR4LTA4H
SCHEMBL6450294 0.84 CXCR4 (0.47) NPC1HRH3CXCR4GNAI3GNAO1

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
US-20120129855-A1 PHTHALAZINONE DERIVATIVES MENEAR KEITH ALLAN (GB) 2012-05-24 US disclosed
US-20120129855-A1 PHTHALAZINONE DERIVATIVES MENEAR KEITH ALLAN (GB) 2012-05-24 US disclosed
US-20120129855-A1 PHTHALAZINONE DERIVATIVES MENEAR KEITH ALLAN (GB) 2012-05-24 US disclosed
US-8129380-B2 Phthalazinone derivatives ASTRAZENECA AB (SE) 2012-03-06 US disclosed
US-8129380-B2 Phthalazinone derivatives ASTRAZENECA AB (SE) 2012-03-06 US disclosed
US-8129380-B2 Phthalazinone derivatives ASTRAZENECA AB (SE) 2012-03-06 US disclosed
EP-2231638-A1 PHTHALAZINONE DERIVATIVES AstraZeneca AB (SE) 2010-09-29 EP disclosed
US-20090192156-A1 PHTHALAZINONE DERIVATIVES KUDOS PHARMACEUTICALS LIMITED (GB) 2009-07-30 US disclosed
US-20090192156-A1 PHTHALAZINONE DERIVATIVES KUDOS PHARMACEUTICALS LIMITED (GB) 2009-07-30 US disclosed
US-20090192156-A1 PHTHALAZINONE DERIVATIVES KUDOS PHARMACEUTICALS LIMITED (GB) 2009-07-30 US disclosed
WO-2009093032-A1 PHTHALAZINONE DERIVATIVES ASTRAZENECA AB (SE) 2009-07-30 WO disclosed
WO-2009093032-A1 PHTHALAZINONE DERIVATIVES ASTRAZENECA AB (SE) 2009-07-30 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 (2 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-20090192156-A1 PHTHALAZINONE DERIVATIVES CBR1, CBR3, SDHA NPC1 1819/4885HRH3 1365/4885RAD52 1618/4885
US-20120129855-A1 PHTHALAZINONE DERIVATIVES CBR1, CBR3, SDHA NPC1 1819/4885HRH3 1365/4885RAD52 1618/4885

“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.