SCHEMBL19750577

SCHEMBL19750577

NCCCCCNCc1ccc(N2CCCC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 5/20 0.44
MAOA P21397 1/20 0.43
CXCR4 P61073 6/20 0.43
NCF1 P14598 1/20 0.42
MC4R P32245 1/20 0.41
MC5R P33032 1/20 0.41
MC3R P41968 1/20 0.41
ALDH1A1 P00352 2/20 0.41
ALOX15 P16050 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
APP P05067 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
ALOX12 P18054 1/20 0.41
MAPK1 P28482 1/20 0.41
SNCA P37840 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL19750565 0.94 MC4R (0.46) CXCR4NCF1MC4RMC5RMC3R
SCHEMBL16812990 0.92 CHRM2 (0.50) CHRM2MAOACXCR4NCF1ALDH1A1
SCHEMBL17832850 0.91 CXCR4 (0.49) CHRM2MAOACXCR4NCF1ALDH1A1
SCHEMBL16812995 0.87 CXCR4 (0.49) CHRM2CXCR4NCF1ALDH1A1ALOX15
SCHEMBL16812993 0.86 MAPT (0.56) CHRM2MAOACXCR4NCF1ALDH1A1
SCHEMBL18179874 0.84 NCF1 (0.51) CXCR4NCF1ALDH1A1ALOX15KDM4E
SCHEMBL8735920 0.83 HRH4 (0.60) CHRM2CXCR4NCF1ALDH1A1ALOX15
SCHEMBL17832859 0.82 NCF1 (0.50) CXCR4NCF1ALDH1A1ALOX15KDM4E
SCHEMBL18179876 0.82 NCF1 (0.50) NCF1ALDH1A1ALOX15KDM4EMEN1
SCHEMBL22736796 0.82 MAOA (0.61) CHRM2MAOAMC4RMC5RMC3R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3230254-B1 COMPOSITIONS AND METHODS FOR TREATING DISEASES AND CONDITIONS UNIV PITTSBURGH COMMONWEALTH SYS HIGHER EDUCATION (US) 2021-09-22 EP disclosed
US-10487076-B2 Compositions and methods for treating diseases and conditions University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2019-11-26 US disclosed
US-20180134693-A1 COMPOSITIONS AND METHODS FOR TREATING DISEASES AND CONDITIONS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2018-05-17 US disclosed
US-20180071232-A1 COMPOSITIONS AND METHODS FOR TREATING RESPIRATORY INJURY OR DISEASE UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2018-03-15 US disclosed
US-9849098-B2 Compositions and methods for treating respiratory injury or disease University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2017-12-26 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 (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-10487076-B2 Compositions and methods for treating diseases and conditions C1S, SLC10A1, C1R CHRM2 77/4885MAOA 2740/4885CXCR4 219/4885
US-20180071232-A1 COMPOSITIONS AND METHODS FOR TREATING RESPIRATORY INJURY OR DISEASE H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, C9, C1S CHRM2 647/4885MAOA 3038/4885CXCR4 144/4885
US-20180134693-A1 COMPOSITIONS AND METHODS FOR TREATING DISEASES AND CONDITIONS C1S, SLC10A1, C1R CHRM2 77/4885MAOA 2740/4885CXCR4 219/4885

“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.