SCHEMBL21769407

SCHEMBL21769407

CN(C)CCCOc1ccccc1C(=O)N1CCN([C@@H]2c3ccccc3-c3ccncc32)CC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
USP2 O75604 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
GAA P10253 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
RBP4 P02753 1/20 0.39
CACNA1G O43497 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
SCHEMBL21769252 0.96 TSHR (0.42) TSHRKDM4ESMN1; SMN2LMNAUSP2
SCHEMBL21769506 0.95 RBP4 (0.41) TSHRKDM4ESMN1; SMN2USP2CYP1A2
SCHEMBL21769410 0.95 TSHR (0.41) TSHRKDM4ESMN1; SMN2LMNAUSP2
SCHEMBL21769398 0.92 KDM4E (0.46) TSHRKDM4ESMN1; SMN2USP2CYP1A2
SCHEMBL21769247 0.90 TSHR (0.42) TSHRKDM4ESMN1; SMN2LMNAUSP2
SCHEMBL21769489 0.90 RBP4 (0.41) TSHRKDM4ESMN1; SMN2USP2CYP1A2
SCHEMBL21769505 0.90 CYP1A2 (0.39) TSHRKDM4ESMN1; SMN2USP2CYP1A2
SCHEMBL21440788 0.87 ALDH1A1 (0.48) TSHRKDM4ESMN1; SMN2USP2CYP1A2
SCHEMBL21769411 0.87 FNTA (0.41) TSHRKDM4ESMN1; SMN2LMNACYP2C9
SCHEMBL21769409 0.87 KDM4E (0.40) TSHRKDM4ESMN1; SMN2LMNACYP2C9

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 2468/4885KDM4E 3638/4885SMN1; SMN2 2355/4885

“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.