SCHEMBL15955855

SCHEMBL15955855

C[C@@H](C(N)=O)N1CCCCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.43
SLC6A2 P23975 6/20 0.42
CHRNB4 P30926 6/20 0.42
CHRNA3 P32297 6/20 0.42
SLC6A3 Q01959 6/20 0.42
CHRNB2 P17787 5/20 0.42
CHRNA4 P43681 5/20 0.42
CHRNA1 P02708 4/20 0.42
CHRNG P07510 4/20 0.42
CHRNB1 P11230 4/20 0.42
CHRND Q07001 4/20 0.42
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 1/20 0.41
SLC6A4 P31645 1/20 0.41
ATM Q13315 2/20 0.40
DPP7 Q9UHL4 1/20 0.39
NPC1 O15118 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
FDPS P14324 2/20 0.38

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
SCHEMBL14655308 1.00 MAOB (0.43) MAOBSLC6A2CHRNB4CHRNA3SLC6A3
SCHEMBL1303845 1.00 MAOB (0.43) MAOBSLC6A2CHRNB4CHRNA3SLC6A3
SCHEMBL17331175 1.00 MAOB (0.43) MAOBSLC6A2CHRNB4CHRNA3SLC6A3
SCHEMBL1303572 0.98 ATM (0.41) MAOBSLC6A2CHRNB4CHRNA3SLC6A3
SCHEMBL1613168 0.98 ATM (0.41) MAOBSLC6A2CHRNB4CHRNA3SLC6A3
SCHEMBL19517200 0.98 ATM (0.41) MAOBSLC6A2CHRNB4CHRNA3SLC6A3
SCHEMBL8695815 0.93
SCHEMBL16026595 0.87 MEN1 (0.37) MAOBSLC6A2CHRNB4CHRNA3SLC6A3
SCHEMBL30018449 0.81 KDM4E (0.43) MAOBSLC6A2SLC6A3ALDH1A1KDM4E
SCHEMBL23278004 0.81 HRH3 (0.39) ALDH1A1KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10913726-B2 Centrally active and orally bioavailable antidotes for organophosphate exposure and methods for making and using them THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-02-09 US disclosed
US-10913726-B2 Centrally active and orally bioavailable antidotes for organophosphate exposure and methods for making and using them THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-02-09 US disclosed
US-10800749-B2 Centrally active and orally bioavailable antidotes for organophosphate exposure and methods for making and using them THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-10-13 US disclosed
US-20190337911-A1 CENTRALLY ACTIVE AND ORALLY BIOAVAILABLE ANTIDOTES FOR ORGANOPHOSPHATE EXPOSURE AND METHODS FOR MAKING AND USING THEM THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2019-11-07 US disclosed
US-20190119237-A1 CENTRALLY ACTIVE AND ORALLY BIOAVAILABLE ANTIDOTES FOR ORGANOPHOSPHATE EXPOSURE AND METHODS FOR MAKING AND USING THEM THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2019-04-25 US disclosed
US-20190119237-A1 CENTRALLY ACTIVE AND ORALLY BIOAVAILABLE ANTIDOTES FOR ORGANOPHOSPHATE EXPOSURE AND METHODS FOR MAKING AND USING THEM THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2019-04-25 US disclosed
EP-2956451-A1 CENTRALLY ACTIVE AND ORALLY BIOAVAILABLE ANTIDOTES FOR ORGANOPHOSPHATE EXPOSURE AND METHODS FOR MAKING AND USING THEM The Regents of the University of California (US) 2015-12-23 EP disclosed
US-20150361060-A1 CENTRALLY ACTIVE AND ORALLY BIOAVAILABLE ANTIDOTES FOR ORGANOPHOSPHATE EXPOSURE AND METHODS FOR MAKING AND USING THEM THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-12-17 US disclosed
US-20150361060-A1 CENTRALLY ACTIVE AND ORALLY BIOAVAILABLE ANTIDOTES FOR ORGANOPHOSPHATE EXPOSURE AND METHODS FOR MAKING AND USING THEM THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-12-17 US disclosed
WO-2014127315-A1 CENTRALLY ACTIVE AND ORALLY BIOAVAILABLE ANTIDOTES FOR ORGANOPHOSPHATE EXPOSURE AND METHODS FOR MAKING AND USING THEM THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-08-21 WO disclosed
WO-2014127315-A1 CENTRALLY ACTIVE AND ORALLY BIOAVAILABLE ANTIDOTES FOR ORGANOPHOSPHATE EXPOSURE AND METHODS FOR MAKING AND USING THEM THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-08-21 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 (5 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-10800749-B2 Centrally active and orally bioavailable antidotes for organophosphate exposure and methods for making and using them ACHE, BCHE, IDE MAOB 1005/4885SLC6A2 466/4885CHRNB4 83/4885
US-20190337911-A1 CENTRALLY ACTIVE AND ORALLY BIOAVAILABLE ANTIDOTES FOR ORGANOPHOSPHATE EXPOSURE AND METHODS FOR MAKING AND USING THEM ACHE, BCHE, IDE MAOB 1005/4885SLC6A2 466/4885CHRNB4 83/4885
US-20150361060-A1 CENTRALLY ACTIVE AND ORALLY BIOAVAILABLE ANTIDOTES FOR ORGANOPHOSPHATE EXPOSURE AND METHODS FOR MAKING AND USING THEM ACHE, BCHE, IDE MAOB 1005/4885SLC6A2 466/4885CHRNB4 83/4885
US-20190119237-A1 CENTRALLY ACTIVE AND ORALLY BIOAVAILABLE ANTIDOTES FOR ORGANOPHOSPHATE EXPOSURE AND METHODS FOR MAKING AND USING THEM ACHE, BCHE, IDE MAOB 1005/4885SLC6A2 466/4885CHRNB4 83/4885
US-10913726-B2 Centrally active and orally bioavailable antidotes for organophosphate exposure and methods for making and using them ACHE, BCHE, IDE MAOB 1005/4885SLC6A2 466/4885CHRNB4 83/4885

“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.