SCHEMBL3274581

SCHEMBL3274581

C=CCN1CCN(c2ccccc2)C[C@H]1c1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 8/20 0.42
NR1H3 Q13133 6/20 0.42
SLC6A9 P48067 1/20 0.42
DRD4 P21917 2/20 0.40
DRD2 P14416 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
RECQL P46063 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
GFER P55789 1/20 0.38
ATM Q13315 1/20 0.38
PRCP P42785 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
SCHEMBL3274589 1.00 NR1H2 (0.42) NR1H2NR1H3SLC6A9DRD4DRD2
Hydrochloric Acid SCHEMBL3273139 0.99 NR1H2 (0.42) NR1H2NR1H3SLC6A9DRD4DRD2
Hydrochloric Acid SCHEMBL3273145 0.99 NR1H2 (0.42) NR1H2NR1H3SLC6A9DRD4DRD2
SCHEMBL3273816 0.82 DRD2 (0.38) DRD4DRD2CYP1A2CYP3A4CYP2D6
SCHEMBL3273813 0.82 DRD2 (0.38) DRD4DRD2CYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL3273550 0.81 DRD1 (0.37) DRD4DRD2CYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL3273557 0.81 DRD1 (0.37) DRD4DRD2CYP1A2CYP3A4CYP2D6
SCHEMBL3274271 0.81 SIGMAR1 (0.50) DRD4DRD2CYP1A2CYP3A4CYP2D6
SCHEMBL3274274 0.81 SIGMAR1 (0.50) DRD4DRD2CYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL3273936 0.80 SIGMAR1 (0.49) DRD4DRD2CYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273883-B2 Method for producing optically active 2-arylpiperazine derivative KANEKA CORPORATION (JP) 2012-09-25 US disclosed
US-20100087643-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE 2-ARYLPIPERAZINE DERIVATIVE KANEKA CORPORATION (JP) 2010-04-08 US disclosed
EP-2119709-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE 2-ARYLPIPERAZINE DERIVATIVE Kaneka Corporation (JP) 2009-11-18 EP 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-20100087643-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE 2-ARYLPIPERAZINE DERIVATIVE CYP2W1, AGPS, DHPS NR1H2 3565/4885NR1H3 4318/4885SLC6A9 3033/4885

“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.