SCHEMBL425551

SCHEMBL425551

O=C(NC12CC3CC(CC(C3)C1)C2)n1nnc2ccccc21

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.65
HPGD P15428 2/20 0.54
CNR2 P34972 4/20 0.52
BCHE P06276 1/20 0.48
ALDH1A1 P00352 3/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 2/20 0.47
FAAH O00519 1/20 0.47
MGAM O43451 1/20 0.47
F2 P00734 1/20 0.47
AMY1A P0DUB6 1/20 0.47
GAA P10253 1/20 0.47
SI P14410 1/20 0.47
SLC9A1 P19634 1/20 0.47
MGAM2 Q2M2H8 1/20 0.47
MEN1 O00255 1/20 0.47
KDM4E B2RXH2 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ASAH1 Q13510 2/20 0.46
CNR1 P21554 1/20 0.46

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
SCHEMBL444445 0.76 HSD11B1 (0.47) USP2HPGDKMT2AMGAMF2
SCHEMBL17875212 0.72 ASAH1 (0.59) HPGDALDH1A1KMT2AMGAMF2
SCHEMBL9419551 0.72 MGAM (0.58) HPGDALDH1A1KMT2AMGAMF2
SCHEMBL425447 0.71 KMT2A (0.55) USP2HPGDBCHEALDH1A1KMT2A
SCHEMBL12593818 0.71 ALDH1A1 (0.44) HPGDALDH1A1KMT2AMGAMF2
SCHEMBL427058 0.70 GAA (0.64) HPGDALDH1A1KMT2AMGAMF2
SCHEMBL426720 0.70 GAA (0.59) HPGDALDH1A1KMT2AFAAHMGAM
SCHEMBL4250719 0.69 GAA (0.68) HPGDALDH1A1KMT2APOLBMGAM
SCHEMBL706083 0.69 MGAM (0.68) HPGDALDH1A1KMT2AFAAHMGAM
SCHEMBL27973795 0.69 DGAT1 (0.70) HPGDALDH1A1KMT2APOLBMGAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 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-20120065191-A1 PHARMACEUTICAL COMPOUNDS FAAH, FAAH2, ASAH1 USP2 517/4885HPGD 247/4885CNR2 9/4885

“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.