SCHEMBL428300

SCHEMBL428300

CN(C(=O)n1cnc(-c2cccc(NC(=N)N)c2)c1)C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.45
HPN P05981 1/20 0.45
PRSS1 P07477 1/20 0.45
PRSS2 P07478 1/20 0.45
PRSS3 P35030 1/20 0.45
HGFAC Q04756 1/20 0.45
ST14 Q9Y5Y6 1/20 0.45
DCUN1D1 Q96GG9 5/20 0.44
UBE2M P61081 3/20 0.44
DRD2 P14416 2/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44
PRKAA2 P54646 2/20 0.44
FAAH O00519 2/20 0.43
CES2 O00748 1/20 0.43
CHRM4 P08173 1/20 0.43
OPRM1 P35372 2/20 0.42
OPRD1 P41143 2/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 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
SCHEMBL16432958 0.93 DRD2 (0.46) F10HPNPRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL17819167 0.93 DRD2 (0.45) F10HPNPRSS1PRSS2PRSS3
SCHEMBL17819176 0.90 FAAH (0.44) F10HPNPRSS1PRSS2PRSS3
Fumaric Acid SCHEMBL17819175 0.90 HTR2A (0.48) F10HPNPRSS1PRSS2PRSS3
Maleic Acid SCHEMBL17819174 0.90 HTR2A (0.48) F10HPNPRSS1PRSS2PRSS3
SCHEMBL16439292 0.89 DCUN1D1 (0.47) F10HPNPRSS1PRSS2PRSS3
SCHEMBL16433000 0.87 FAAH (0.45) DCUN1D1UBE2MDRD2DRD4DRD3
SCHEMBL424816 0.87 DRD2 (0.57) DRD2DRD4DRD3FAAHCES2
Hydrochloric Acid SCHEMBL16432898 0.86 FAAH (0.45) DRD2DRD4DRD3PRKAA2FAAH
SCHEMBL425081 0.86 OPRM1 (0.53) DRD2DRD4DRD3PRKAA2FAAH

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 4 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-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 F10 954/4885HPN 237/4885PRSS1 471/4885

“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.