SCHEMBL16409263

SCHEMBL16409263

CCOC(=O)c1csc(C2CCCCN2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.54
BAZ2A Q9UIF9 1/20 0.53
CASP3 P42574 1/20 0.49
CASP7 P55210 1/20 0.49
CASP8 Q14790 1/20 0.49
RAB9A P51151 8/20 0.49
NPC1 O15118 7/20 0.49
MAPT P10636 4/20 0.49
ALDH1A1 P00352 3/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
GAA P10253 2/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
POLB P06746 2/20 0.43
PKM P14618 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
CTSK P43235 1/20 0.42
HSP90AA1 P07900 1/20 0.41

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
SCHEMBL8219214 0.96 SMN1; SMN2 (0.52) SMN1; SMN2BAZ2ACASP3CASP7CASP8
SCHEMBL12215949 0.96 SMN1; SMN2 (0.52) SMN1; SMN2BAZ2ACASP3CASP7CASP8
Bromide SCHEMBL29391160 0.95 SMN1; SMN2 (0.51) SMN1; SMN2BAZ2ACASP3CASP7CASP8
SCHEMBL1245930 0.83 SMN1; SMN2 (0.60) SMN1; SMN2CASP3CASP7CASP8RAB9A
SCHEMBL996638 0.82 SMN1; SMN2 (0.62) SMN1; SMN2CASP3CASP7CASP8RAB9A
SCHEMBL2142696 0.80 SMN1; SMN2 (0.56) SMN1; SMN2CASP3CASP7CASP8RAB9A
SCHEMBL2142237 0.80 RAB9A (0.57) SMN1; SMN2CASP3CASP7CASP8RAB9A
SCHEMBL16401499 0.80 BAZ2A (0.46) SMN1; SMN2BAZ2ACASP8ALDH1A1MEN1
SCHEMBL1228518 0.80 BAZ2A (0.52) SMN1; SMN2BAZ2ACASP3CASP7CASP8
Bromide SCHEMBL5061856 0.79 BAZ2A (0.51) SMN1; SMN2BAZ2ACASP3CASP7CASP8

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105579444-B Piperidinylindole derivatives and their use as complement factor B inhibitors 诺华股份有限公司 2018-05-01 CN disclosed
US-20180009795-A1 Piperidinyl-Indole Derivatives Complement Factor B Inhibitors and Uses Thereof NOVARTIS AG (CH) 2018-01-11 US disclosed
EP-3022192-B1 PIPERIDINYL INDOLE DERIVATIVES AND THEIR USE AS COMPLEMENT FACTOR B INHIBITORS NOVARTIS AG (CH) 2017-10-11 EP disclosed
US-9682968-B2 Piperidinyl-indole derivatives complement factor B inhibitors and uses thereof NOVARTIS AG (CH) 2017-06-20 US disclosed
US-9682968-B2 Piperidinyl-indole derivatives complement factor B inhibitors and uses thereof NOVARTIS AG (CH) 2017-06-20 US disclosed
US-20160152605-A1 Piperidinyl-Indole Derivatives Complement Factor B Inhibitors and Uses Thereof NOVARTIS AG (CH) 2016-06-02 US disclosed
US-20160152605-A1 Piperidinyl-Indole Derivatives Complement Factor B Inhibitors and Uses Thereof NOVARTIS AG (CH) 2016-06-02 US disclosed
CN-105579444-A Piperidinylindole derivatives and their use as complement factor B inhibitors NOVARTIS AG 2016-05-11 CN disclosed
WO-2015009616-A1 PIPERIDINYL INDOLE DERIVATIVES AND THEIR USE AS COMPLEMENT FACTOR B INHIBITORS NOVARTIS AG (CH) 2015-01-22 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 (2 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-20160152605-A1 Piperidinyl-Indole Derivatives Complement Factor B Inhibitors and Uses Thereof CFB, TFPI, TFPI2 SMN1; SMN2 4416/4885BAZ2A 1933/4885CASP3 3164/4885
US-20180009795-A1 Piperidinyl-Indole Derivatives Complement Factor B Inhibitors and Uses Thereof CFB, C5, TFPI SMN1; SMN2 4591/4885BAZ2A 1461/4885CASP3 2826/4885

“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.