SCHEMBL21538077

SCHEMBL21538077

Nn1c2c(c3ccccc31)CCCCCCCC2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.58
CA2 P00918 3/20 0.58
HTR6 P50406 3/20 0.53
KDM4E B2RXH2 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
GLA P06280 1/20 0.50
CASP1 P29466 1/20 0.50
CASP7 P55210 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CHRM2 P08172 1/20 0.49
HTR1A P08908 1/20 0.49
CHRM5 P08912 1/20 0.49
ADRA2A P08913 1/20 0.49
DRD2 P14416 1/20 0.49
ADRA2B P18089 1/20 0.49
ADRA2C P18825 1/20 0.49
CHRM3 P20309 1/20 0.49
DRD4 P21917 1/20 0.49
SLC6A2 P23975 1/20 0.49

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
SCHEMBL20468978 1.00 CA1 (0.58) CA1CA2HTR6KDM4EMEN1
SCHEMBL8572018 0.98 CA1 (0.57) CA1CA2HTR6KDM4EMEN1
SCHEMBL15307679 0.78 HTR2A (0.65) CA1CA2HTR6KDM4EMEN1
SCHEMBL30223611 0.76 HTR2A (0.67) CA1CA2HTR6KDM4EMEN1
SCHEMBL21653604 0.76 CA1 (0.57) CA1CA2HTR6KDM4EMEN1
SCHEMBL11755532 0.76 CA1 (0.62) CA1CA2HTR6KDM4EMEN1
SCHEMBL3927394 0.76 HTR2A (0.67) CA1CA2HTR6KDM4EMEN1
SCHEMBL9059934 0.76 CA1 (0.57) CA1CA2HTR6KDM4EMEN1
SCHEMBL7427782 0.75 CA1 (0.55) CA1CA2HTR6KDM4EMEN1
SCHEMBL14155784 0.74 CA1 (0.54) CA1CA2HTR6KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10597411-B2 Compositions and methods for inhibiting arginase activity CALITHERA BIOSCIENCES, INC. (US) 2020-03-24 US disclosed
US-20190330244-A1 COMPOSITIONS AND METHODS FOR INHIBITING ARGINASE ACTIVITY PRECISION PHARMACEUTICALS, INC. 2019-10-31 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 (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-20190330244-A1 COMPOSITIONS AND METHODS FOR INHIBITING ARGINASE ACTIVITY ARG1, ARG2, PRMT3 CA1 850/4885CA2 702/4885HTR6 4581/4885
US-10597411-B2 Compositions and methods for inhibiting arginase activity ARG1, ARG2, PRMT3 CA1 850/4885CA2 702/4885HTR6 4581/4885

“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.