SCHEMBL3274271

SCHEMBL3274271

C=CCN1CCN(Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.50
TACR1 P25103 2/20 0.47
DRD4 P21917 4/20 0.45
BCHE P06276 2/20 0.44
ACHE P22303 2/20 0.44
BACE1 P56817 2/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
DRD2 P14416 1/20 0.43
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL3274274 1.00 SIGMAR1 (0.50) SIGMAR1TACR1DRD4BCHEACHE
Hydrochloric Acid SCHEMBL3273936 0.99 SIGMAR1 (0.49) SIGMAR1TACR1DRD4BCHEACHE
Hydrochloric Acid SCHEMBL3273940 0.99 SIGMAR1 (0.49) SIGMAR1TACR1DRD4BCHEACHE
Hydrochloric Acid SCHEMBL3273749 0.91 SIGMAR1 (0.45) SIGMAR1TACR1ALDH1A1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL3273751 0.91 SIGMAR1 (0.45) SIGMAR1TACR1ALDH1A1CYP1A2CYP3A4
SCHEMBL3273813 0.87 DRD2 (0.38) DRD4DRD2CYP1A2CYP3A4CYP2D6
SCHEMBL3273816 0.87 DRD2 (0.38) DRD4DRD2CYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL3273550 0.85 DRD1 (0.37) SIGMAR1DRD4DRD2CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL3273557 0.85 DRD1 (0.37) SIGMAR1DRD4DRD2CYP1A2CYP3A4
SCHEMBL7221791 0.81 PRCP (0.47) DRD2CYP1A2CYP3A4CYP2D6CYP2C9

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 SIGMAR1 1692/4885TACR1 1917/4885DRD4 254/4885

“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.