SCHEMBL3064435

SCHEMBL3064435

O=C(NC1CCN(c2cc(C(F)(F)F)ncn2)CC1)c1cscn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.46
UTS2R Q9UKP6 1/20 0.40
CCR2 P41597 2/20 0.39
PAK1 Q13153 3/20 0.39
LCAT P04180 2/20 0.39
PARP1 P09874 2/20 0.38
ACACB O00763 1/20 0.37
PRKDC P78527 1/20 0.37
PAK3 O75914 1/20 0.36
PAK2 Q13177 1/20 0.36
KCNH2 Q12809 1/20 0.36
USP30 Q70CQ3 1/20 0.36
HPGDS O60760 2/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
RPS6KB1 P23443 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36

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
SCHEMBL2277568 0.81 LCAT (0.45) CCR2PAK1LCATPARP1ACACB
SCHEMBL2277215 0.75 CKS1B (0.53) CCR2LCATACACBKCNH2
SCHEMBL3065900 0.74 USP30 (0.49) MCHR1UTS2RCCR2USP30
SCHEMBL4970792 0.74 MCHR1 (0.55) MCHR1UTS2R
SCHEMBL3068444 0.72 ADRB2 (0.48) MCHR1UTS2RPAK1PRKDCPDE4D
SCHEMBL16648636 0.72 ITGB2 (0.47) CCR2LCATPARP1ACACB
SCHEMBL3061487 0.71 MCHR1 (0.44) MCHR1UTS2RPRKDCHPGDS
SCHEMBL2554945 0.70 RAB9A (0.52) MCHR1
SCHEMBL28264042 0.70 RAB9A (0.52) MCHR1
SCHEMBL27709420 0.69 LCAT (0.46) CCR2LCATPARP1ACACBKCNH2

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-20100267717-A1 Novel Heterocyclic NF-kB Inhibitors 4SC AG (DE) 2010-10-21 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-20100267717-A1 Novel Heterocyclic NF-kB Inhibitors NFKB2, NFKBIA, NFRKB MCHR1 3580/4885UTS2R 836/4885CCR2 108/4885

“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.