SCHEMBL25656138

SCHEMBL25656138

Cc1cc2nccc(N3CCCNCC3)c2cc1C

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 9/20 0.62
ADRB2 P07550 4/20 0.58
PKM P14618 1/20 0.48
ALOX15 P16050 1/20 0.48
CASP1 P29466 1/20 0.48
HSD17B10 Q99714 1/20 0.48
HTR6 P50406 7/20 0.47
CHKA P35790 1/20 0.47
HTR1A P08908 3/20 0.44
HTR1D P28221 3/20 0.44
HTR1B P28222 3/20 0.44
ADRB1 P08588 1/20 0.43
ROCK1 Q13464 1/20 0.43
CDC42BPB Q9Y5S2 1/20 0.43
HTR2A P28223 2/20 0.43
HTR7 P34969 1/20 0.42
HTR2B P41595 1/20 0.42
HTR3A P46098 1/20 0.42

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
SCHEMBL23726690 0.83 NCF1 (0.90) NCF1ADRB2HTR7HTR2BHTR3A
SCHEMBL30080033 0.83 NCF1 (0.90) NCF1ADRB2HTR7HTR2BHTR3A
SCHEMBL2594228 0.80 NCF1 (0.90) NCF1ADRB2PKMALOX15CASP1
SCHEMBL30061172 0.79 NCF1 (0.70) NCF1ADRB2PKMALOX15CASP1
SCHEMBL23412205 0.79 NCF1 (0.88) NCF1ADRB2PKMALOX15CASP1
SCHEMBL30060834 0.77 NCF1 (0.64) NCF1ADRB2PKMALOX15CASP1
SCHEMBL2587501 0.77 NCF1 (0.90) NCF1ADRB2PKMALOX15CASP1
SCHEMBL22441572 0.77 NCF1 (1.00) NCF1ADRB2HTR6ADRB1HTR3A
SCHEMBL25656099 0.77 CYP1A2 (0.56) NCF1HSD17B10
SCHEMBL25656137 0.74 ALDH1A1 (0.52) NCF1PKMALOX15CASP1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230183212-A1 INHIBITORS OF ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE 1 (ENPP1) AND METHODS OF USE THEREOF STINGRAY THERAPEUTICS INC (US) 2023-06-15 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-20230183212-A1 INHIBITORS OF ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE 1 (ENPP1) AND METHODS OF USE THEREOF ENPP1, ENPP3, PPA1 NCF1 491/4885ADRB2 4189/4885PKM 2431/4885

“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.