SCHEMBL899207

SCHEMBL899207

CC(C)C(CN)Nc1ccnc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FERMT2 Q96AC1 1/20 0.54
HTR1A P08908 2/20 0.51
ADRA1D P25100 2/20 0.51
ADRA1A P35348 2/20 0.51
ADRA1B P35368 2/20 0.51
LOXL2 Q9Y4K0 1/20 0.46
NR4A2 P43354 1/20 0.43
HTT P42858 2/20 0.42
NCF1 P14598 1/20 0.41
RIPK2 O43353 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PTPN1 P18031 1/20 0.40
PTPN11 Q06124 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
GAK O14976 1/20 0.40
COQ8A Q8NI60 1/20 0.40
NLK Q9UBE8 1/20 0.40
FADS1 O60427 1/20 0.40
EGFR P00533 1/20 0.40

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
SCHEMBL899197 0.79 FERMT2 (0.54) FERMT2HTR1AADRA1DADRA1AADRA1B
SCHEMBL15912060 0.79 HTR1A (0.58) FERMT2HTR1AADRA1DADRA1AADRA1B
SCHEMBL899036 0.74 PTPN1 (0.48) FERMT2HTR1AADRA1DADRA1AADRA1B
SCHEMBL30307409 0.74 GALR3 (0.59) FERMT2HTR1AADRA1DADRA1AADRA1B
SCHEMBL7504534 0.73 HTR1A (0.51) FERMT2HTR1AADRA1DADRA1AADRA1B
SCHEMBL28220542 0.72 GAA (0.53) FERMT2HTR1AADRA1DADRA1AADRA1B
SCHEMBL19951672 0.72 PTPN1 (0.51) FERMT2HTR1AADRA1DADRA1AADRA1B
SCHEMBL29516922 0.72 PTPN1 (0.51) FERMT2HTR1AADRA1DADRA1AADRA1B
SCHEMBL19951671 0.72 PTPN1 (0.51) FERMT2HTR1AADRA1DADRA1AADRA1B
SCHEMBL28220567 0.71 HTR1A (0.46) FERMT2HTR1AADRA1DADRA1AADRA1B

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-2621903-B1 N-HETEROARYL COMPOUNDS INTERVET INT BV (NL) 2017-03-01 EP disclosed
US-8877934-B2 N-heteroaryl compounds INTERVET INC. (US) 2014-11-04 US disclosed
EP-2621903-A1 N-HETEROARYL COMPOUNDS Intervet International B.V. (NL) 2013-08-07 EP disclosed
US-20130196993-A1 N-HETEROARYL COMPOUNDS INTERVET INC. 2013-08-01 US disclosed
WO-2012041873-A1 N-HETEROARYL COMPOUNDS INTERVET INTERNATIONAL B.V. (NL) 2012-04-05 WO 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-20130196993-A1 N-HETEROARYL COMPOUNDS HNMT, SQLE, PIGO FERMT2 2362/4885HTR1A 1385/4885ADRA1D 1552/4885

“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.