SCHEMBL21769487

SCHEMBL21769487

CN(C)CCOc1ccc(C(=O)N2CCN(C3c4ccccc4-c4ccncc43)CC2)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCNK O75909 1/20 0.40
CDK12 Q9NYV4 1/20 0.40
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
F10 P00742 3/20 0.38
HRH3 Q9Y5N1 1/20 0.38
TP53 P04637 1/20 0.37
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37

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
SCHEMBL21769475 0.93 THRA (0.42) THRATHRB
SCHEMBL21769497 0.89 CCNK (0.43) CCNKCDK12CYP1A2CYP3A4GAA
SCHEMBL21769237 0.85 CCNK (0.44) CCNKCDK12GAA
SCHEMBL21769489 0.85 RBP4 (0.41) CYP1A2CYP3A4GAACYP2D6CYP2C9
SCHEMBL21769252 0.85 TSHR (0.42) CYP1A2CYP3A4GAACYP2D6CYP2C9
SCHEMBL21769486 0.83 KDM4E (0.43) CYP1A2GAACYP2C9CYP2C19
SCHEMBL21769481 0.82 THRA (0.42) HRH3THRATHRB
SCHEMBL21769506 0.81 RBP4 (0.41) CYP1A2CYP3A4GAACYP2D6CYP2C9
SCHEMBL21769407 0.81 TSHR (0.41) CYP1A2CYP3A4GAACYP2D6CYP2C9
SCHEMBL21769235 0.79 NPSR1 (0.47) CYP1A2GAACYP2C9CYP2C19

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 CCNK 3426/4885CDK12 726/4885CYP1A2 4271/4885

“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.