SCHEMBL21769245

SCHEMBL21769245

CCN(CC)CCCOc1cc(F)ccc1C(=O)N1CCN(C2c3ccccc3-c3ccccc32)CC1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
MAPK1 P28482 1/20 0.46
CACNA1G O43497 1/20 0.41
HRH3 Q9Y5N1 3/20 0.41
HTT P42858 3/20 0.39
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
USP2 O75604 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL21769477 0.95 MAPT (0.47) MAPTNPSR1MAPK1CACNA1GHTT
SCHEMBL21769479 0.93 NPSR1 (0.46) MAPTNPSR1MAPK1CACNA1GHRH3
SCHEMBL21769244 0.91 NPSR1 (0.48) MAPTNPSR1MAPK1CACNA1GHTT
SCHEMBL21769400 0.91 NPSR1 (0.45) NPSR1CACNA1GHRH3HTTALDH1A1
SCHEMBL21769473 0.88 NPSR1 (0.48) MAPTNPSR1MAPK1CACNA1GHTT
SCHEMBL21769233 0.86 KDM4E (0.50) NPSR1CACNA1GHTTALDH1A1USP2
SCHEMBL21769534 0.84 NPSR1 (0.48) MAPTNPSR1MAPK1HRH3HTT
SCHEMBL21769243 0.83 NPSR1 (0.49) MAPTNPSR1MAPK1HTTALDH1A1
SCHEMBL21769529 0.82 NPSR1 (0.40) NPSR1ALDH1A1CYP2C9TSHRCYP2C19
SCHEMBL21769398 0.81 KDM4E (0.46) NPSR1CACNA1GHTTALDH1A1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11022604-B2 Dock derived compound against laminin receptor (37 LR) and uses thereof PURDUE RESEARCH FOUNDATION (US) 2021-06-01 US disclosed
US-20200064334-A1 Dock Derived Compound against Laminin Receptor (37 LR) and Uses thereof PURDUE RESEARCH FOUNDATION (US) 2020-02-27 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-20200064334-A1 Dock Derived Compound against Laminin Receptor (37 LR) and Uses thereof ILK, LRRC47, RPL37 MAPT 1188/4885NPSR1 615/4885MAPK1 1104/4885
US-11022604-B2 Dock derived compound against laminin receptor (37 LR) and uses thereof ILK, LRRC47, RPL37 MAPT 1188/4885NPSR1 615/4885MAPK1 1104/4885

“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.