SCHEMBL21769508

SCHEMBL21769508

CN(C)CCCOc1cnccc1C(=O)N1CCN(C2c3ccccc3-c3ncccc32)CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
KDM4E B2RXH2 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
GAA P10253 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
TSHR P16473 2/20 0.36
USP2 O75604 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RBP4 P02753 1/20 0.35

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
SCHEMBL21769491 0.96 FNTA (0.41) FNTAFNTBKDM4ECYP1A2CYP3A4
SCHEMBL21769504 0.93 RBP4 (0.37) FNTAFNTBKDM4ECYP1A2CYP3A4
SCHEMBL21769409 0.91 KDM4E (0.40) FNTAFNTBKDM4ECYP2C9CYP2C19
SCHEMBL21769485 0.89 FNTA (0.41) FNTAFNTBKDM4ECYP1A2CYP3A4
SCHEMBL21769528 0.87 ALDH1A1 (0.47) FNTAFNTBKDM4ECYP1A2CYP3A4
SCHEMBL21769246 0.87 FNTA (0.43) FNTAFNTBKDM4ECYP2C9CYP2C19
SCHEMBL21769407 0.85 TSHR (0.41) KDM4ECYP1A2CYP3A4GAACYP2D6
SCHEMBL21769410 0.85 TSHR (0.41) KDM4ECYP1A2CYP3A4GAACYP2D6
SCHEMBL21769408 0.85 MAPT (0.41) FNTAFNTBKDM4E
SCHEMBL21769506 0.84 RBP4 (0.41) KDM4ECYP1A2CYP3A4GAACYP2D6

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 FNTA 3527/4885FNTB 3926/4885KDM4E 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.