SCHEMBL6537798

SCHEMBL6537798

N#CCN1CCCNCC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CXCR4 P61073 12/20 0.50
HRH3 Q9Y5N1 2/20 0.44
MEN1 O00255 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
ADRA2C P18825 1/20 0.44
CCR2 P41597 1/20 0.44
CXCL12 P48061 1/20 0.44
BLM P54132 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HRH2 P25021 1/20 0.41
HRH1 P35367 1/20 0.41
LMNA P02545 1/20 0.37
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL9167025 0.91 POLB (0.60) POLBSMN1; SMN2CXCR4HRH3MEN1
SCHEMBL1393841 0.91
SCHEMBL9172023 0.91 POLB (0.60) POLBSMN1; SMN2CXCR4HRH3MEN1
Hydrochloric Acid SCHEMBL960566 0.89 SMN1; SMN2 (0.58) POLBSMN1; SMN2CXCR4HRH3MEN1
Hydrochloric Acid SCHEMBL2009370 0.89 SMN1; SMN2 (0.58) POLBSMN1; SMN2CXCR4HRH3MEN1
SCHEMBL9168067 0.89 POLB (0.58) POLBSMN1; SMN2CXCR4HRH3MEN1
SCHEMBL9172017 0.86 POLB (0.56) POLBSMN1; SMN2CXCR4HRH3MEN1
SCHEMBL18975385 0.79 POLB (0.84) POLBSMN1; SMN2CXCR4HRH3MEN1
SCHEMBL2000877 0.78 CXCR4 (0.50) POLBSMN1; SMN2CXCR4HRH3MEN1
SCHEMBL4205876 0.78 CXCR4 (0.50) POLBSMN1; SMN2CXCR4HRH3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11820749-B2 Centrally active and orally bioavailable uncharged bisoxime antidotes for organophosphate poisoning and methods for making and using them THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-11-21 US disclosed
US-11820749-B2 Centrally active and orally bioavailable uncharged bisoxime antidotes for organophosphate poisoning and methods for making and using them THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-11-21 US disclosed
US-11820749-B2 Centrally active and orally bioavailable uncharged bisoxime antidotes for organophosphate poisoning and methods for making and using them THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-11-21 US disclosed
US-20220227724-A1 CENTRALLY ACTIVE AND ORALLY BIOAVAILABLE UNCHARGED BISOXIME ANTIDOTES FOR ORGANOPHOSPHATE POISONING AND METHODS FOR MAKING AND USING THEM OAK RIDGE NATIONAL LABORATORY 2022-07-21 US disclosed
WO-2020237079-A1 CENTRALLY ACTIVE AND ORALLY BIOAVAILABLE UNCHARGED BISOXIME ANTIDOTES FOR ORGANOPHOSPHATE POISONING AND METHODS FOR MAKING AND USING THEM THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-11-26 WO disclosed
WO-2020237079-A1 CENTRALLY ACTIVE AND ORALLY BIOAVAILABLE UNCHARGED BISOXIME ANTIDOTES FOR ORGANOPHOSPHATE POISONING AND METHODS FOR MAKING AND USING THEM THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-11-26 WO disclosed
EP-0595557-B1 New substituted azetidinones as anti-inflammatory and antidegenerative agents MERCK & CO INC (US) 2004-06-30 EP disclosed
US-5747485-A RESPIRATORY SYSTEM DISORDERS MERCK & CO., INC. (US) 1998-05-05 US disclosed
EP-0755262-A4 COMPOSITION FOR THE TREATMENT OF LUNG DISEASE MERCK & CO INC (US) 1997-05-07 EP disclosed
EP-0755262-A1 COMPOSITION FOR THE TREATMENT OF LUNG DISEASE MERCK & CO. INC. (US) 1997-01-29 EP disclosed
US-5591737-A ELASTASE INHIBITORS MERCK & CO., INC. (US) 1997-01-07 US disclosed
WO-1995024207-A1 COMPOSITION FOR THE TREATMENT OF LUNG DISEASE MERCK & CO., INC. (US) 1995-09-14 WO disclosed
WO-1994010142-A1 NEW SUBSTITUTED AZETIDINONES AS ANTI-INFLAMMATORY AND ANTIDEGENERATIVE AGENTS MERCK & CO., INC. (US) 1994-05-11 WO disclosed
EP-0595557-A1 New substituted azetidinones as anti-inflammatory and antidegenerative agents MERCK & CO. INC. (US) 1994-05-04 EP 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-20220227724-A1 CENTRALLY ACTIVE AND ORALLY BIOAVAILABLE UNCHARGED BISOXIME ANTIDOTES FOR ORGANOPHOSPHATE POISONING AND METHODS FOR MAKING AND USING THEM BCHE, ACHE, FHIT POLB 1223/4885SMN1; SMN2 1520/4885CXCR4 3541/4885
US-11820749-B2 Centrally active and orally bioavailable uncharged bisoxime antidotes for organophosphate poisoning and methods for making and using them BCHE, ACHE, FHIT POLB 1223/4885SMN1; SMN2 1520/4885CXCR4 3541/4885

“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.