SCHEMBL21769229

SCHEMBL21769229

CN(C)CCOc1ccccc1C(=O)N1CCN(C2c3ccc(F)cc3-c3cc(F)ccc32)CC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
NPSR1 Q6W5P4 3/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 3/20 0.42
TSHR P16473 1/20 0.42
RAB9A P51151 1/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
SMO Q99835 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
HSD11B1 P28845 2/20 0.41
KMT2A Q03164 1/20 0.41
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40

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
SCHEMBL21769473 0.90 NPSR1 (0.48) HTTTDP1NPSR1MAPTMAPK1
SCHEMBL21440788 0.89 ALDH1A1 (0.48) HTTNPSR1SMN1; SMN2TSHRKDM4E
SCHEMBL21769249 0.85 MAPT (0.41) NPSR1MAPTMAPK1SMN1; SMN2KDM4E
SCHEMBL21769244 0.85 NPSR1 (0.48) HTTTDP1NPSR1MAPTMAPK1
SCHEMBL21769246 0.84 FNTA (0.43) NPSR1MAPK1SMN1; SMN2LMNATSHR
SCHEMBL21769398 0.84 KDM4E (0.46) HTTNPSR1SMN1; SMN2TSHRKDM4E
SCHEMBL21769252 0.81 TSHR (0.42) SMN1; SMN2LMNATSHRKDM4EALDH1A1
SCHEMBL21769247 0.81 TSHR (0.42) HTTNPSR1SMN1; SMN2LMNATSHR
SCHEMBL21769235 0.81 NPSR1 (0.47) NPSR1MAPTMAPK1SMN1; SMN2LMNA
SCHEMBL21769248 0.80 KDM4E (0.42) NPSR1MAPK1SMN1; SMN2LMNATSHR

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 HTT 1198/4885TDP1 3665/4885NPSR1 615/4885
US-11022604-B2 Dock derived compound against laminin receptor (37 LR) and uses thereof ILK, LRRC47, RPL37 HTT 1198/4885TDP1 3665/4885NPSR1 615/4885

“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.