SCHEMBL3277741

SCHEMBL3277741

c1ccc(CN2CCN[C@H](c3ccccc3)C2)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.54
LTA4H P09960 1/20 0.51
CYP2C19 P33261 3/20 0.46
ALDH1A1 P00352 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
ACHE P22303 2/20 0.44
BCHE P06276 1/20 0.44
BACE1 P56817 1/20 0.44
FUCA1 P04066 2/20 0.44
MEN1 O00255 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.43
HIF1A Q16665 1/20 0.43

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
SCHEMBL3272922 1.00 SIGMAR1 (0.54) SIGMAR1LTA4HCYP2C19ALDH1A1CYP1A2
SCHEMBL3272931 1.00 SIGMAR1 (0.54) SIGMAR1LTA4HCYP2C19ALDH1A1CYP1A2
SCHEMBL3276041 0.91 SIGMAR1 (0.53) SIGMAR1LTA4HALDH1A1CYP1A2CYP3A4
SCHEMBL3274127 0.91 SIGMAR1 (0.53) SIGMAR1LTA4HALDH1A1CYP1A2CYP3A4
SCHEMBL3274123 0.91 SIGMAR1 (0.53) SIGMAR1LTA4HALDH1A1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL3278083 0.90 SIGMAR1 (0.51) SIGMAR1LTA4HALDH1A1CYP1A2CYP3A4
SCHEMBL4472074 0.90 BCHE (0.49) SIGMAR1LTA4HALDH1A1ACHEBCHE
Hydrochloric Acid SCHEMBL3278090 0.90 SIGMAR1 (0.51) SIGMAR1LTA4HALDH1A1CYP1A2CYP3A4
SCHEMBL31235612 0.90 ACHE (0.49) SIGMAR1LTA4HACHEBCHEBACE1
SCHEMBL24835751 0.89 LTA4H (0.48) SIGMAR1LTA4HCYP2C19ALDH1A1CYP1A2

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 5 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
US-20080076924-A1 Piperazines as P2X7 antagonists ABBOTT LABORATORIES 2008-03-27 US disclosed
US-20060154917-A1 Substituted (heterocycloalkyl)methyl azole derivatives as c5a receptor modulators NEUROGEN CORPORATION (US) 2006-07-13 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 (3 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 1692/4885LTA4H 1220/4885CYP2C19 204/4885
US-20060154917-A1 Substituted (heterocycloalkyl)methyl azole derivatives as c5a receptor modulators C5AR1, C5AR2, C3AR1 SIGMAR1 993/4885LTA4H 242/4885CYP2C19 802/4885
US-20080076924-A1 Piperazines as P2X7 antagonists P2RX7, P2RX1, P2RX2 SIGMAR1 256/4885LTA4H 1096/4885CYP2C19 355/4885

“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.