SCHEMBL1901151

SCHEMBL1901151

Nc1ccc(CNC(=O)[C@H](N)C(C2CCCCC2)C2CCCCC2)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MASP2 O00187 3/20 0.45
CPB1 P15086 2/20 0.43
EPHX1 P07099 2/20 0.41
METAP2 P50579 1/20 0.40
METAP1 P53582 1/20 0.40
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 0.40
GABRA4 P48169 1/20 0.40
GABRE P78334 1/20 0.40
GABRA6 Q16445 1/20 0.40
GABRG1 Q8N1C3 1/20 0.40
GABRG3 Q99928 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
SCHEMBL1901155 1.00 MASP2 (0.45) MASP2CPB1EPHX1METAP2METAP1
Trifluoroacetic Acid SCHEMBL1432457 0.93 MASP2 (0.43) MASP2CPB1EPHX1METAP2METAP1
SCHEMBL3154833 0.83 MASP2 (0.48) MASP2CPB1METAP2METAP1GABRP
SCHEMBL4310703 0.83 MASP2 (0.43) MASP2CPB1EPHX1GABRPGABRD
SCHEMBL1432393 0.82 MASP2 (0.43) MASP2CPB1EPHX1NAMPTCPB2
SCHEMBL1432406 0.82 MASP2 (0.43) MASP2CPB1EPHX1NAMPTCPB2
SCHEMBL1432085 0.82 MASP2 (0.44) MASP2CPB2PPIB
SCHEMBL3157818 0.81 MASP2 (0.43) MASP2CPB1EPHX1METAP2METAP1
SCHEMBL1433675 0.81 MASP2 (0.43) MASP2CPB1EPHX1METAP2METAP1
Hydrochloric Acid SCHEMBL1907358 0.81 METAP2 (0.41) MASP2EPHX1METAP2METAP1

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-20100076015-A1 Aminopyridine Derivatives VANTIA LIMITED (GB) 2010-03-25 US claimed
CN-102076666-A Aminopyridine derivatives VANTIA LTD 2011-05-25 CN disclosed
WO-2011051671-A1 AMINOPYRIDINE DERIVATIVES AS KALLIKREIN INHIBITORS VANTIA LIMITED (GB) 2011-05-05 WO disclosed
US-20100076015-A1 Aminopyridine Derivatives VANTIA LIMITED (GB) 2010-03-25 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-20100076015-A1 Aminopyridine Derivatives CHRM1, ARG1, ARG2 MASP2 3039/4885CPB1 1977/4885EPHX1 1931/4885

“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.