SCHEMBL13437752

SCHEMBL13437752

COc1ccccc1C(=C1CCN(C)CC1)c1cccc(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 1/20 0.48
TSHR P16473 2/20 0.47
NPC1 O15118 2/20 0.47
GRM5 P41594 1/20 0.47
ALOX15 P16050 1/20 0.47
ACHE P22303 2/20 0.43
DRD2 P14416 2/20 0.42
DRD3 P35462 2/20 0.42
DRD4 P21917 2/20 0.42
DRD1 P21728 2/20 0.41
DRD5 P21918 2/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
RAB9A P51151 1/20 0.40
ATM Q13315 1/20 0.40
USP2 O75604 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HTR1D P28221 1/20 0.40

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
SCHEMBL13437758 0.87 POLB (0.43) SETD7TSHRDRD2DRD3DRD1
SCHEMBL13462520 0.86 NPC1 (0.50) SETD7NPC1ACHEDRD2DRD3
SCHEMBL13437754 0.86 SETD7 (0.66) SETD7TSHRNPC1DRD2DRD3
SCHEMBL13437760 0.84 OPRM1 (0.56) TSHRNPC1GRM5ALOX15ACHE
SCHEMBL13437756 0.83 SETD7 (0.54) SETD7DRD2DRD3DRD4DRD1
SCHEMBL14627509 0.82 SETD7 (0.45) SETD7DRD2DRD3DRD4DRD1
SCHEMBL13437764 0.81 SETD7 (0.54) SETD7TSHRDRD2DRD3DRD4
SCHEMBL13437767 0.77 ALDH1A1 (0.47) TSHRGRM5DRD2DRD3DRD4
SCHEMBL13437766 0.76 CCR1 (0.43) TSHRNPC1GRM5ALOX15DRD2
SCHEMBL13437765 0.76 DRD2 (0.42) TSHRDRD2DRD4MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7683077-B2 Piperidine derivative AJINOMOTO CO., INC. (JP) 2010-03-23 US disclosed
US-7683077-B2 Piperidine derivative AJINOMOTO CO., INC. (JP) 2010-03-23 US disclosed
US-20070021460-A1 Novel piperidine derivative AJINOMOTO CO., INC. (JP) 2007-01-25 US disclosed
US-20070021460-A1 Novel piperidine derivative AJINOMOTO CO., INC. (JP) 2007-01-25 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-20070021460-A1 Novel piperidine derivative HTR7, TPH1, HTR5A SETD7 142/4885TSHR 3421/4885NPC1 849/4885

“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.