SCHEMBL79064

SCHEMBL79064

C1CC(OCCN2CCOCC2)CCN1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.50
MCHR1 Q99705 1/20 0.39
HRH3 Q9Y5N1 2/20 0.39
EPHX2 P34913 1/20 0.38
LIPG Q9Y5X9 1/20 0.37
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
KEAP1 Q14145 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SIGMAR1 Q99720 2/20 0.35
RAB9A P51151 1/20 0.35
TSHR P16473 1/20 0.35
CD38 P28907 1/20 0.34
CYP1A2 P05177 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
HTR2A P28223 1/20 0.34
MAPK1 P28482 1/20 0.34
SCN1A P35498 1/20 0.34
HTR2B P41595 1/20 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
Hydrochloric Acid SCHEMBL15352413 0.98 NPC1 (0.49) NPC1MCHR1HRH3EPHX2LIPG
SCHEMBL2146027 0.90 NPC1 (0.43) NPC1MCHR1HRH3EPHX2LIPG
SCHEMBL2146023 0.90 NPC1 (0.43) NPC1MCHR1HRH3EPHX2LIPG
SCHEMBL6449789 0.87 EPHX2 (0.42) HRH3EPHX2ALDH1A1KDM4EKEAP1
SCHEMBL19023072 0.84 NPC1 (0.60) NPC1MCHR1HRH3SIGMAR1HTR2A
SCHEMBL77295 0.84 NPC1 (0.60) NPC1MCHR1HRH3
SCHEMBL18855748 0.84 NPC1 (0.71) NPC1MCHR1EPHX2LIPGALDH1A1
SCHEMBL9703528 0.82 NPC1 (0.75) NPC1MCHR1EPHX2LIPGALDH1A1
SCHEMBL79601 0.82 NPC1 (0.63) NPC1MCHR1HRH3CYP1A2KCNH2
SCHEMBL14681430 0.82 NPC1 (0.44) NPC1MCHR1HRH3LIPGALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025049419-A1 PYRAZOLYL COMPOUNDS AS EMOPAMIL BINDING PROTEIN INHIBITORS GENZYME CORPORATION (US) 2025-03-06 WO disclosed
WO-2017025901-A1 NOVEL C28-ANALOGUES WITH C3-MODIFICATIONS OF TRITERPENE DERIVATIVES AS HIV INHIBITORS HETERO RESEARCH FOUNDATION (IN) 2017-02-16 WO disclosed
US-20150119373-A1 NOVEL BETULINIC ACID DERIVATIVES AS HIV INHIBITORS HETERO LABS LIMITED (IN) 2015-04-30 US disclosed
WO-2013160810-A2 NOVEL BETULINIC ACID DERIVATIVES AS HIV INHIBITORS HETERO RESEARCH FOUNDATION (IN) 2013-10-31 WO 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-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 (3 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-20150119373-A1 NOVEL BETULINIC ACID DERIVATIVES AS HIV INHIBITORS BET1, PGGT1B, RABGGTB NPC1 802/4885MCHR1 4703/4885HRH3 2061/4885
US-20090192156-A1 PHTHALAZINONE DERIVATIVES CBR1, CBR3, SDHA NPC1 1819/4885MCHR1 1102/4885HRH3 1365/4885
US-20120129855-A1 PHTHALAZINONE DERIVATIVES CBR1, CBR3, SDHA NPC1 1819/4885MCHR1 1102/4885HRH3 1365/4885

“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.