SCHEMBL21769231

SCHEMBL21769231

CN1CCN(CCOc2ccccc2C(=O)N2CCN(C3c4ccccc4-c4ccccc43)CC2)CC1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 2/20 0.54
ALDH1A1 P00352 3/20 0.48
POLB P06746 3/20 0.48
KDM4E B2RXH2 2/20 0.48
KCNA5 P22460 2/20 0.48
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C9 P11712 2/20 0.47
TSHR P16473 2/20 0.47
CYP2C19 P33261 2/20 0.47
USP2 O75604 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
DRD2 P14416 1/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL21769401 0.95 ALDH1A1 (0.53) DRD3ALDH1A1POLBKDM4ECYP1A2
SCHEMBL21769464 0.91 DRD3 (0.48) DRD3ALDH1A1POLBKDM4EKCNA5
SCHEMBL21769243 0.91 NPSR1 (0.49) DRD3ALDH1A1POLBKDM4EKCNA5
SCHEMBL21750483 0.90 KDM4E (0.57) DRD3ALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL21769225 0.89 DRD3 (0.50) DRD3ALDH1A1POLBKDM4EKCNA5
SCHEMBL21750490 0.89 KDM4E (0.56) DRD3ALDH1A1POLBKDM4EUSP2
SCHEMBL21769234 0.86 KDM4E (0.57) DRD3ALDH1A1POLBKDM4EHTT
SCHEMBL21769527 0.86 ALDH1A1 (0.46) DRD3ALDH1A1POLBKDM4EGAA
SCHEMBL21769534 0.86 NPSR1 (0.48) DRD3ALDH1A1POLBKDM4ECYP1A2
SCHEMBL21769228 0.84 NPSR1 (0.49) ALDH1A1POLBCYP1A2CYP3A4CYP2D6

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 DRD3 3732/4885ALDH1A1 1721/4885POLB 2907/4885
US-11022604-B2 Dock derived compound against laminin receptor (37 LR) and uses thereof ILK, LRRC47, RPL37 DRD3 3732/4885ALDH1A1 1721/4885POLB 2907/4885

“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.