SCHEMBL4497370

SCHEMBL4497370

[NH]C(=O)c1ccccc1NC1CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.42
RPS6KB1 P23443 1/20 0.42
BRD4 O60885 1/20 0.42
ATAD2 Q6PL18 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.41
NSD2 O96028 1/20 0.40
CDK1 P06493 1/20 0.40
CDK4 P11802 1/20 0.40
CCND1 P24385 1/20 0.40
CDK2 P24941 1/20 0.40
GRIK1 P39086 1/20 0.40
GRIA2 P42262 1/20 0.40
PKM P14618 1/20 0.39
HTR6 P50406 5/20 0.39
CHRM3 P20309 1/20 0.38
EPHX1 P07099 1/20 0.38
JAK1 P23458 1/20 0.38
CCNT1 O60563 1/20 0.37
CDK9 P50750 1/20 0.37
CDK5 Q00535 1/20 0.37

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
SCHEMBL30776204 0.86 GRIK1 (0.52) AURKARPS6KB1BRD4ATAD2SIRT2
SCHEMBL377833 0.84 SIRT2 (0.56) AURKARPS6KB1BRD4ATAD2SIRT2
SCHEMBL28528412 0.83 KAT2B (0.46) AURKARPS6KB1BRD4ATAD2SIRT2
SCHEMBL10975531 0.82 KMT2A (0.47) AURKARPS6KB1BRD4ATAD2NSD2
SCHEMBL12415572 0.82 KDM4E (0.53) CDK1CDK4CCND1CDK2
SCHEMBL8989418 0.81 BRD4 (0.42) AURKARPS6KB1BRD4ATAD2SIRT2
SCHEMBL14417232 0.78 CHEK1 (0.48) AURKARPS6KB1BRD4ATAD2SIRT2
SCHEMBL8989463 0.77 CDK1 (0.43) AURKARPS6KB1BRD4ATAD2SIRT2
SCHEMBL30776206 0.77 GRIK1 (0.53) AURKARPS6KB1BRD4ATAD2GRIK1
SCHEMBL27538853 0.76 RPS6KB1 (0.56) AURKARPS6KB1BRD4ATAD2SIRT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7576105-B2 Benzyl substituted (piperidin-4-yl)aminobenzamido derivatives JANSSEN PHARMACEUTICA, NV (BE) 2009-08-18 US disclosed
US-7576105-B2 Benzyl substituted (piperidin-4-yl)aminobenzamido derivatives JANSSEN PHARMACEUTICA, NV (BE) 2009-08-18 US disclosed
US-7576105-B2 Benzyl substituted (piperidin-4-yl)aminobenzamido derivatives JANSSEN PHARMACEUTICA, NV (BE) 2009-08-18 US disclosed
US-20060106066-A1 Benzyl substituted (piperidin-4-yl)aminobenzamido derivatives BAXTER ELLEN W 2006-05-18 US disclosed
US-20060106066-A1 Benzyl substituted (piperidin-4-yl)aminobenzamido derivatives BAXTER ELLEN W 2006-05-18 US disclosed
US-20060106066-A1 Benzyl substituted (piperidin-4-yl)aminobenzamido derivatives BAXTER ELLEN W 2006-05-18 US disclosed
WO-2004035541-A1 BENZYL SUBSTITUTED (PIPERIDIN-4-YL) AMINOBENZAMIDO DERIVATIVES AS DELTA-OPIOD RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2004-04-29 WO disclosed
WO-2004035541-A1 BENZYL SUBSTITUTED (PIPERIDIN-4-YL) AMINOBENZAMIDO DERIVATIVES AS DELTA-OPIOD RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2004-04-29 WO disclosed
US-20040082612-A1 Benzyl substituted (piperidin-4-yl)aminobenzamido derivatives JANSSEN PHARMACEUTICALS N.V. (BE) 2004-04-29 US disclosed
US-20040082612-A1 Benzyl substituted (piperidin-4-yl)aminobenzamido derivatives JANSSEN PHARMACEUTICALS N.V. (BE) 2004-04-29 US disclosed
US-20040082612-A1 Benzyl substituted (piperidin-4-yl)aminobenzamido derivatives JANSSEN PHARMACEUTICALS N.V. (BE) 2004-04-29 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 (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-20060106066-A1 Benzyl substituted (piperidin-4-yl)aminobenzamido derivatives OPRD1, OPRK1, OPRM1 AURKA 3189/4885RPS6KB1 428/4885BRD4 140/4885
US-20040082612-A1 Benzyl substituted (piperidin-4-yl)aminobenzamido derivatives OPRD1, OPRK1, OPRM1 AURKA 3189/4885RPS6KB1 428/4885BRD4 140/4885

“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.