SCHEMBL21769247

SCHEMBL21769247

CN(C)CCOc1ccccc1C(=O)N1CCN(C2c3ccccc3-c3cnccc32)CC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 3/20 0.39
CYP3A4 P08684 3/20 0.39
CYP2D6 P10635 3/20 0.39
CYP2C9 P11712 3/20 0.39
CYP2C19 P33261 3/20 0.39
GAA P10253 2/20 0.39
USP2 O75604 2/20 0.39
CACNA1G O43497 1/20 0.39
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL21769410 0.96 TSHR (0.41) TSHRSMN1; SMN2KDM4ELMNACYP1A2
SCHEMBL21769252 0.95 TSHR (0.42) TSHRSMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL21769488 0.95 CYP1A2 (0.39) TSHRSMN1; SMN2KDM4EALDH1A1CYP1A2
SCHEMBL21440788 0.92 ALDH1A1 (0.48) TSHRSMN1; SMN2KDM4EALDH1A1CYP1A2
SCHEMBL21769486 0.91 KDM4E (0.43) KDM4EALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL21769407 0.90 TSHR (0.41) TSHRSMN1; SMN2KDM4ELMNACYP1A2
SCHEMBL21769505 0.90 CYP1A2 (0.39) TSHRSMN1; SMN2KDM4EALDH1A1CYP1A2
SCHEMBL21769489 0.89 RBP4 (0.41) TSHRSMN1; SMN2KDM4EALDH1A1CYP1A2
SCHEMBL21769398 0.87 KDM4E (0.46) TSHRSMN1; SMN2KDM4EALDH1A1CYP1A2
SCHEMBL21769246 0.86 FNTA (0.43) TSHRSMN1; SMN2KDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 TSHR 2468/4885SMN1; SMN2 2355/4885KDM4E 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.