SCHEMBL12164840

SCHEMBL12164840

CN(CCCN1CCN(c2cccc(Cl)c2Cl)CC1)C(=O)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 8/20 0.59
▸ SLC6A4 P31645 4/20 0.59
▸ HTR2C P28335 3/20 0.59
▸ KCNH2 Q12809 1/20 0.59
▸ DRD2 P14416 15/20 0.59
▸ HTR1A P08908 4/20 0.59
▸ DRD3 P35462 10/20 0.58
▸ DRD4 P21917 5/20 0.58
▸ OPRM1 P35372 2/20 0.53
▸ SLC6A2 P23975 1/20 0.53
▸ FAAH O00519 1/20 0.52
▸ CNR1 P21554 1/20 0.52

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
SCHEMBL13399454 0.80 DRD3 (0.70) SLC6A4DRD2DRD3DRD4SLC6A2
SCHEMBL13398933 0.79 DRD3 (0.75) DRD2DRD3DRD4FAAHCNR1
SCHEMBL21997329 0.78 SIGMAR1 (0.50) —
SCHEMBL21997547 0.77 ACKR3 (0.48) HTR2AOPRM1
SCHEMBL20927229 0.75 SIGMAR1 (0.42) —
SCHEMBL12441232 0.74 HTR2A (1.00) HTR2ASLC6A4HTR2CKCNH2DRD2
SCHEMBL28972649 0.74 DRD2 (1.00) HTR2ASLC6A4HTR2CKCNH2DRD2
SCHEMBL28972650 0.74 DRD2 (1.00) HTR2ASLC6A4HTR2CKCNH2DRD2
SCHEMBL1491196 0.74 DRD2 (0.68) HTR2ASLC6A4DRD2HTR1ADRD3
SCHEMBL1078584 0.73 HTR2A (0.72) HTR2ASLC6A4HTR2CKCNH2DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895558-B2 Arylpiperazine-containing pyrrole 3-carboxamide derivatives for treating depressive disorders GREEN CROSS CORPORATION (KR) 2014-11-25 — — US disclosed
US-8895558-B2 Arylpiperazine-containing pyrrole 3-carboxamide derivatives for treating depressive disorders GREEN CROSS CORPORATION (KR) 2014-11-25 — — US disclosed
US-8785453-B2 Arylpiperazine-containing purine derivatives and uses thereof GREEN CROSS CORPORATION (KR) 2014-07-22 — — US disclosed
US-8785453-B2 Arylpiperazine-containing purine derivatives and uses thereof GREEN CROSS CORPORATION (KR) 2014-07-22 — — US disclosed
US-20120232090-A1 ARYLPIPERAZINE-CONTAINING PURINE DERIVATIVES AND USES THEREOF GREEN CROSS CORPORATION (KR) 2012-09-13 — — US disclosed
US-20120232090-A1 ARYLPIPERAZINE-CONTAINING PURINE DERIVATIVES AND USES THEREOF GREEN CROSS CORPORATION (KR) 2012-09-13 — — US disclosed
US-20110178091-A1 ARYLPIPERAZINE-CONTAINING PYRROLE 3-CARBOXAMIDE DERIVATIVES FOR TREATING DEPRESSIVE DISORDERS GREEN CROSS CORPORATION (KR) 2011-07-21 — — US disclosed
US-20110178091-A1 ARYLPIPERAZINE-CONTAINING PYRROLE 3-CARBOXAMIDE DERIVATIVES FOR TREATING DEPRESSIVE DISORDERS GREEN CROSS CORPORATION (KR) 2011-07-21 — — US disclosed
WO-2011059207-A2 ARYLPIPERAZINE-CONTAINING PURINE DERIVATIVES AND USES THEREOF GREEN CROSS CORPORATION (KR) 2011-05-19 — — WO disclosed
WO-2010038948-A2 ARYLPIPERAZINE-CONTAINING PYRROLE 3-CARBOXAMIDE DERIVATIVES FOR TREATING DEPRESSIVE DISORDERS GREEN CROSS CORPORATION (KR) 2010-04-08 — — WO 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 (2 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-20110178091-A1 ARYLPIPERAZINE-CONTAINING PYRROLE 3-CARBOXAMIDE DERIVATIVES FOR TREATING DEPRESSIVE DISORDERS NPY5R, TPH2, MC5R HTR2A 18/4885SLC6A4 111/4885HTR2C 10/4885
US-20120232090-A1 ARYLPIPERAZINE-CONTAINING PURINE DERIVATIVES AND USES THEREOF ADORA2A, P2RX5, PNP HTR2A 17/4885SLC6A4 76/4885HTR2C 19/4885

“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.

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