SCHEMBL21769472

SCHEMBL21769472

CN1CCN(CCCOc2ccc(F)cc2C(=O)N2CCN(C3c4ccccc4-c4ccccc43)CC2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
ALDH1A1 P00352 4/20 0.48
POLB P06746 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C9 P11712 2/20 0.42
TSHR P16473 2/20 0.42
CYP2C19 P33261 2/20 0.42
USP2 O75604 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KCNH2 Q12809 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
RAD52 P43351 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
SCHEMBL21769534 0.93 NPSR1 (0.48) NPSR1MAPTMAPK1ALDH1A1POLB
SCHEMBL21769401 0.91 ALDH1A1 (0.53) NPSR1MAPTALDH1A1POLBKDM4E
SCHEMBL21769480 0.90 USP2 (0.52) NPSR1MAPTMAPK1ALDH1A1POLB
SCHEMBL21769243 0.88 NPSR1 (0.49) NPSR1MAPTMAPK1ALDH1A1POLB
SCHEMBL21769231 0.86 DRD3 (0.54) NPSR1ALDH1A1POLBKDM4EKMT2A
SCHEMBL21769540 0.86 KDM4E (0.51) NPSR1MAPTMAPK1POLBKDM4E
SCHEMBL21769479 0.84 NPSR1 (0.46) NPSR1MAPTMAPK1ALDH1A1POLB
SCHEMBL21769539 0.83 KDM4E (0.52) NPSR1MAPTMAPK1ALDH1A1POLB
SCHEMBL21769242 0.83 USP2 (0.52) NPSR1MAPTMAPK1ALDH1A1POLB
SCHEMBL21440794 0.82 NPSR1 (0.55) NPSR1MAPTMAPK1ALDH1A1KMT2A

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 NPSR1 615/4885MAPT 1188/4885MAPK1 1104/4885
US-11022604-B2 Dock derived compound against laminin receptor (37 LR) and uses thereof ILK, LRRC47, RPL37 NPSR1 615/4885MAPT 1188/4885MAPK1 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.