SCHEMBL4022286

SCHEMBL4022286

O=C(C1NCCc2ccccc21)C1NCCc2ccccc21

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.75
NPSR1 Q6W5P4 1/20 0.75
PRCP P42785 7/20 0.53
SLC6A2 P23975 1/20 0.52
SLC6A4 P31645 1/20 0.52
GAA P10253 1/20 0.51
MAPT P10636 2/20 0.51
OPRM1 P35372 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
SLC22A1 O15245 1/20 0.47
RECQL P46063 1/20 0.47
MEN1 O00255 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
SCHEMBL29381539 0.87 TSHR (0.97) TSHRNPSR1PRCPSLC6A2SLC6A4
SCHEMBL514422 0.87 TSHR (0.97) TSHRNPSR1PRCPSLC6A2SLC6A4
SCHEMBL29505877 0.87 TSHR (0.97) TSHRNPSR1PRCPSLC6A2SLC6A4
SCHEMBL29597389 0.87 TSHR (0.97) TSHRNPSR1PRCPSLC6A2SLC6A4
SCHEMBL574702 0.87 TSHR (0.97) TSHRNPSR1PRCPSLC6A2SLC6A4
SCHEMBL2303831 0.87 TSHR (0.97) TSHRNPSR1PRCPSLC6A2SLC6A4
SCHEMBL1388248 0.87 TSHR (0.73) TSHRNPSR1PRCPSLC6A2SLC6A4
Potassium SCHEMBL18066432 0.86 TSHR (0.93) TSHRNPSR1PRCPSLC6A2SLC6A4
SCHEMBL9637870 0.86 TSHR (0.71) TSHRNPSR1PRCPSLC6A2SLC6A4
Hydrochloric Acid SCHEMBL5439604 0.86 TSHR (1.00) TSHRNPSR1PRCPSLC6A2SLC6A4

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-7572814-B2 3,5-dibenzoyl-4-phenyl-piperidine anti-cancer compounds CYTOKINETICS, INCORPORATED (US) 2009-08-11 US disclosed
US-20070161674-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2007-07-12 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-20070161674-A1 Certain chemical entities, compositions, and methods TP53, VHL, RB1 TSHR 4351/4885NPSR1 3414/4885PRCP 875/4885

“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.