SCHEMBL18211581

SCHEMBL18211581

CNCCCN1CCN(CCCNC(C)=O)CC1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.53
TP53 P04637 1/20 0.53
DRD2 P14416 1/20 0.51
DRD4 P21917 1/20 0.51
NPSR1 Q6W5P4 1/20 0.48
MAPK1 P28482 2/20 0.48
KDM4E B2RXH2 2/20 0.48
HIF1A Q16665 1/20 0.48
USP2 O75604 1/20 0.46
ALDH1A1 P00352 3/20 0.45
LMNA P02545 3/20 0.45
MAPT P10636 2/20 0.45
GAA P10253 2/20 0.45
HTT P42858 1/20 0.45
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42

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
SCHEMBL21985476 0.92 SMN1; SMN2 (0.59) SMN1; SMN2TP53DRD2DRD4NPSR1
SCHEMBL861408 0.92 SMN1; SMN2 (0.59) SMN1; SMN2TP53DRD2DRD4NPSR1
SCHEMBL8151767 0.87 PAOX (0.55) SMN1; SMN2TP53DRD2DRD4NPSR1
SCHEMBL5956993 0.85 USP2 (0.58) SMN1; SMN2TP53DRD2DRD4NPSR1
SCHEMBL3251521 0.85 MAPK1 (0.52) SMN1; SMN2TP53DRD2DRD4NPSR1
SCHEMBL18851456 0.84 SMN1; SMN2 (0.51) SMN1; SMN2TP53DRD2DRD4NPSR1
SCHEMBL8761519 0.83 SMN1; SMN2 (0.52) SMN1; SMN2TP53DRD2DRD4MAPK1
SCHEMBL13453975 0.83 SMN1; SMN2 (0.52) SMN1; SMN2TP53DRD2DRD4MAPK1
SCHEMBL8403611 0.82 CARM1 (0.56) SMN1; SMN2TP53DRD2MAPK1USP2
SCHEMBL29699560 0.82

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-10023697-B2 Condensation polymers for antimicrobial applications INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2018-07-17 US disclosed
US-20170073471-A1 CONDENSATION POLYMERS FOR ANTIMICROBIAL APPLICATIONS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-03-16 US disclosed
US-9580554-B2 Condensation polymers for antimicrobial applications INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2017-02-28 US disclosed
US-20160326319-A1 CONDENSATION POLYMERS FOR ANTIMICROBIAL APPLICATIONS INTERNATIONAL BUSINESS MACHINES CORPORATION 2016-11-10 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 (3 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-20160326319-A1 CONDENSATION POLYMERS FOR ANTIMICROBIAL APPLICATIONS PUF60, PARG, PARN SMN1; SMN2 3952/4885TP53 3116/4885DRD2 3638/4885
US-10023697-B2 Condensation polymers for antimicrobial applications PUF60, PARG, PARN SMN1; SMN2 3952/4885TP53 3116/4885DRD2 3638/4885
US-20170073471-A1 CONDENSATION POLYMERS FOR ANTIMICROBIAL APPLICATIONS PUF60, PARG, PARN SMN1; SMN2 3952/4885TP53 3116/4885DRD2 3638/4885

“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.