SCHEMBL427404

SCHEMBL427404

CN(C(=O)n1nnc2cc(C(N)=O)ccc21)C1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 5/20 0.44
NAMPT P43490 1/20 0.44
POLB P06746 1/20 0.44
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
USP2 O75604 1/20 0.43
TRPV1 Q8NER1 1/20 0.41
HPGD P15428 3/20 0.41
JAK2 O60674 2/20 0.41
JAK1 P23458 2/20 0.41
TYK2 P29597 2/20 0.41
JAK3 P52333 2/20 0.41
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ITK Q08881 3/20 0.40
RXFP1 Q9HBX9 1/20 0.40
TP53 P04637 1/20 0.39

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
SCHEMBL427875 0.99 HCAR3 (0.46) HCAR3NAMPTPOLBALDH1A1SMN1; SMN2
SCHEMBL426744 0.88 TRPV1 (0.47) POLBALDH1A1SMN1; SMN2USP2TRPV1
SCHEMBL424622 0.83 KMT2A (0.51) ALDH1A1TRPV1HPGDKDM4EMAPT
SCHEMBL425471 0.82 TRPV1 (0.44) HCAR3POLBALDH1A1SMN1; SMN2USP2
SCHEMBL424342 0.82 TRPV1 (0.53) POLBALDH1A1USP2TRPV1HPGD
SCHEMBL7899251 0.81 TRPV1 (0.43) HCAR3POLBALDH1A1SMN1; SMN2USP2
SCHEMBL425482 0.81 TRPV1 (0.47) POLBALDH1A1SMN1; SMN2TRPV1HPGD
SCHEMBL427978 0.81 KCNMA1 (0.50) POLBALDH1A1SMN1; SMN2USP2TRPV1
SCHEMBL427316 0.79 TRPV1 (0.48) HCAR3POLBALDH1A1SMN1; SMN2USP2
SCHEMBL427980 0.78 MGAM (0.47) HCAR3POLBALDH1A1SMN1; SMN2USP2

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 6 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-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
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 HCAR3 81/4885NAMPT 372/4885POLB 2792/4885

“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.