SCHEMBL3276041

SCHEMBL3276041

Clc1ccc([C@@H]2CN(Cc3ccccc3)CCN2)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.53
BCHE P06276 3/20 0.48
ACHE P22303 3/20 0.48
BACE1 P56817 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
LTA4H P09960 1/20 0.47
ALDH1A1 P00352 1/20 0.47
DRD4 P21917 5/20 0.47
TACR1 P25103 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
DRD2 P14416 2/20 0.44
DRD3 P35462 2/20 0.44

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
SCHEMBL3274123 1.00 SIGMAR1 (0.53) SIGMAR1BCHEACHEBACE1MEN1
SCHEMBL3274127 1.00 SIGMAR1 (0.53) SIGMAR1BCHEACHEBACE1MEN1
Hydrochloric Acid SCHEMBL3278083 0.99 SIGMAR1 (0.51) SIGMAR1BCHEACHEBACE1MEN1
Hydrochloric Acid SCHEMBL3278090 0.99 SIGMAR1 (0.51) SIGMAR1BCHEACHEBACE1MEN1
SCHEMBL3272922 0.91 SIGMAR1 (0.54) SIGMAR1BCHEACHEBACE1MEN1
SCHEMBL3277741 0.91 SIGMAR1 (0.54) SIGMAR1BCHEACHEBACE1MEN1
SCHEMBL3272931 0.91 SIGMAR1 (0.54) SIGMAR1BCHEACHEBACE1MEN1
SCHEMBL31235612 0.87 ACHE (0.49) SIGMAR1BCHEACHEBACE1LTA4H
SCHEMBL1920924 0.87 MEN1 (0.57) SIGMAR1BCHEACHEBACE1MEN1
SCHEMBL24835751 0.86 LTA4H (0.48) SIGMAR1BCHEACHEBACE1LTA4H

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 1692/4885BCHE 4058/4885ACHE 1412/4885

“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.