SCHEMBL7686736

SCHEMBL7686736

CCCN(CCC)C(CC)Oc1ccc(-c2nc3ccccc3s2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 4/20 0.60
ATP4B P51164 4/20 0.60
RAB9A P51151 5/20 0.55
KDM4E B2RXH2 5/20 0.55
NPC1 O15118 4/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
PKM P14618 1/20 0.55
MAPT P10636 4/20 0.49
APP P05067 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
PAX8 Q06710 1/20 0.49
NOD2 Q9HC29 1/20 0.49
KMT2A Q03164 4/20 0.46
GLA P06280 3/20 0.46
GAA P10253 3/20 0.46
MEN1 O00255 2/20 0.46
TNF P01375 1/20 0.46
NOD1 Q9Y239 1/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL10571329 0.93 ATP4A (0.64) ATP4AATP4BRAB9AKDM4ENPC1
SCHEMBL10574645 0.80 ATP4A (0.63) ATP4AATP4BRAB9ANPC1SMN1; SMN2
SCHEMBL10662353 0.78 ATP4A (0.61) ATP4AATP4BRAB9AMAPTKMT2A
SCHEMBL7686738 0.75 ATP4A (1.00) ATP4AATP4BRAB9AKDM4ENPC1
SCHEMBL15462904 0.75 ATP4A (0.83) ATP4AATP4BRAB9AKDM4ENPC1
SCHEMBL13198328 0.74 KDM4E (0.70) ATP4AATP4BRAB9AKDM4ENPC1
SCHEMBL7682417 0.74 ATP4A (0.67) ATP4AATP4BRAB9ANPC1SMN1; SMN2
SCHEMBL10659751 0.73 ATP4A (0.66) ATP4AATP4BRAB9AMAPTGAA
SCHEMBL10661906 0.73 ATP4A (0.67) ATP4AATP4BMAPTALDH1A1
SCHEMBL10571336 0.73 ATP4A (1.00) ATP4AATP4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6436939-B2 TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS INCLUDING SLEEP/WAKE DISORDERS, DEMENTIA, ALZHEIMER'S DISEASE, EPILEPSY, NARCOLEPSY, EATING DISORDERS, MOTION SICKNESS, VERTIGO ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-08-20 US claimed
US-20010044439-A1 Method for using 2-aryloxyalkylaminobenzoxazoles and 2-aryloxyalkylaminobenzothiazoles as H3 antagonists ORTHO MCNEIL PHARMACEUTICAL, INC. 2001-11-22 US claimed
WO-2001074810-A2 METHOD FOR USING 2-ARYLOXYALKYLAMINOBENZOXAZOLES AND 2-ARYLOXYALKYLAMINOBENZOTHIAZOLES AS H3 ANTAGONISTS ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2001-10-11 WO claimed
US-6436939-B2 TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS INCLUDING SLEEP/WAKE DISORDERS, DEMENTIA, ALZHEIMER'S DISEASE, EPILEPSY, NARCOLEPSY, EATING DISORDERS, MOTION SICKNESS, VERTIGO ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-08-20 US disclosed
US-20010044439-A1 Method for using 2-aryloxyalkylaminobenzoxazoles and 2-aryloxyalkylaminobenzothiazoles as H3 antagonists ORTHO MCNEIL PHARMACEUTICAL, INC. 2001-11-22 US disclosed
WO-2001074810-A2 METHOD FOR USING 2-ARYLOXYALKYLAMINOBENZOXAZOLES AND 2-ARYLOXYALKYLAMINOBENZOTHIAZOLES AS H3 ANTAGONISTS ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2001-10-11 WO disclosed
US-4861897-A 2-Aryloxyalkylaminobenzoxazoles and 2-aryloxyalkylaminobenzothiazoles ORTHO PHARMACEUTICAL CORPORATION (US) 1989-08-29 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-20010044439-A1 Method for using 2-aryloxyalkylaminobenzoxazoles and 2-aryloxyalkylaminobenzothiazoles as H3 antagonists HRH3, HRH4, HRH2 ATP4A 2706/4885ATP4B 2670/4885RAB9A 4807/4885

“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.