SCHEMBL1432085

SCHEMBL1432085

CCC(C)[C@H](N)C(=O)N[C@@H](C(=O)NCc1ccc(N)nc1)C(C1CCCCC1)C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MASP2 O00187 3/20 0.44
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
F2RL1 P55085 4/20 0.39
REN P00797 2/20 0.36
CYP3A4 P08684 1/20 0.36
CPB2 Q96IY4 3/20 0.35
PPIB P23284 1/20 0.35
CTSD P07339 1/20 0.35
CTSE P14091 1/20 0.35

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
SCHEMBL1433327 0.90 TP53 (0.42) MASP2TP53TSHRF2RL1REN
SCHEMBL1431929 0.86 MASP2 (0.46) MASP2CYP3A4CPB2PPIB
SCHEMBL3139463 0.86 MASP2 (0.46) MASP2CYP3A4CPB2PPIB
SCHEMBL1432132 0.85 CPB2 (0.45) MASP2F2RL1CPB2
SCHEMBL3157818 0.85 MASP2 (0.43) MASP2CYP3A4CPB2PPIB
SCHEMBL1433675 0.85 MASP2 (0.43) MASP2CYP3A4CPB2PPIB
SCHEMBL3148057 0.85 MASP2 (0.43) MASP2TP53TSHRCYP3A4CPB2
SCHEMBL3148062 0.85 MASP2 (0.43) MASP2TP53TSHRCYP3A4CPB2
SCHEMBL3153397 0.85 REN (0.48) RENCTSDCTSE
SCHEMBL3153401 0.85 REN (0.48) RENCTSDCTSE

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
EP-2300428-A1 AMINOPYRIDINE DERIVATIVES Vantia Limited (GB) 2011-03-30 EP disclosed
US-20100076015-A1 Aminopyridine Derivatives VANTIA LIMITED (GB) 2010-03-25 US disclosed
US-20100076015-A1 Aminopyridine Derivatives VANTIA LIMITED (GB) 2010-03-25 US disclosed
WO-2009133348-A1 AMINOPYRIDINE DERIVATIVES VANTIA LIMITED (GB) 2009-11-05 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-20100076015-A1 Aminopyridine Derivatives CHRM1, ARG1, ARG2 MASP2 3039/4885TP53 3299/4885TSHR 2969/4885

“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.