SCHEMBL2950159

SCHEMBL2950159

c1ccc(CC2CNCCN2c2ccc3ccccc3c2)cc1

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 17/20 0.72
SLC6A3 Q01959 17/20 0.72
SLC6A2 P23975 16/20 0.72
CYP2D6 P10635 6/20 0.69
HTR3E A5X5Y0 1/20 0.49
HTR3B O95264 1/20 0.49
HTR3A P46098 1/20 0.49
HTR5A P47898 1/20 0.49
HTR3D Q70Z44 1/20 0.49
HTR3C Q8WXA8 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
MITF O75030 1/20 0.45

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
SCHEMBL2942215 0.87 SLC6A4 (0.67) SLC6A4SLC6A3SLC6A2CYP2D6
SCHEMBL2946646 0.85 SLC6A4 (0.85) SLC6A4SLC6A3SLC6A2CYP2D6MITF
SCHEMBL2943836 0.85 SLC6A4 (0.64) SLC6A4SLC6A3SLC6A2CYP2D6
SCHEMBL2951055 0.84 SLC6A4 (1.00) SLC6A4SLC6A3SLC6A2CYP2D6MITF
SCHEMBL2951070 0.84 SLC6A4 (1.00) SLC6A4SLC6A3SLC6A2CYP2D6
SCHEMBL2943873 0.84 SLC6A4 (1.00) SLC6A4SLC6A3SLC6A2CYP2D6
SCHEMBL2948711 0.84 SLC6A4 (1.00) SLC6A4SLC6A3SLC6A2CYP2D6
SCHEMBL2947702 0.83 SLC6A4 (0.64) SLC6A4SLC6A3SLC6A2CYP2D6MITF
SCHEMBL2941780 0.83 SLC6A4 (0.66) SLC6A4SLC6A3SLC6A2CYP2D6MITF
SCHEMBL2947610 0.83 SLC6A4 (1.00) SLC6A4SLC6A3SLC6A2CYP2D6SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2061774-B1 ARYLPIPERAZINE DERIVATIVES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2010-12-22 EP claimed
EP-2061774-B1 ARYLPIPERAZINE DERIVATIVES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2010-12-22 EP disclosed
EP-2061774-B1 ARYLPIPERAZINE DERIVATIVES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2010-12-22 EP disclosed
US-7754721-B2 Arylpiperazine derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2010-07-13 US disclosed
US-7754721-B2 Arylpiperazine derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2010-07-13 US disclosed
US-7754721-B2 Arylpiperazine derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2010-07-13 US disclosed
EP-2061774-A2 ARYLPIPERAZINE DERIVATIVES AND USES THEREOF F.HOFFMANN-LA ROCHE AG (CH) 2009-05-27 EP disclosed
WO-2008019971-A2 ARYLPIPERAZINE DERIVATIVES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2008-02-21 WO disclosed
WO-2008019971-A2 ARYLPIPERAZINE DERIVATIVES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2008-02-21 WO disclosed
US-20080045543-A1 Arylpiperazine derivatives and uses thereof ROCHE PALO ALTO LLC 2008-02-21 US disclosed
US-20080045543-A1 Arylpiperazine derivatives and uses thereof ROCHE PALO ALTO LLC 2008-02-21 US disclosed
US-20080045543-A1 Arylpiperazine derivatives and uses thereof ROCHE PALO ALTO LLC 2008-02-21 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 (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-20080045543-A1 Arylpiperazine derivatives and uses thereof CYP3A7, CYP3A5, HTR7 SLC6A4 1438/4885SLC6A3 1264/4885SLC6A2 1508/4885

“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.