SCHEMBL2913625

SCHEMBL2913625

CN1CCNC(c2ccccc2)C1.CNC(=O)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
RPS6KB1 P23443 1/20 0.40
GSK3B P49841 2/20 0.39
NAPEPLD Q6IQ20 1/20 0.39
PDE10A Q9Y233 1/20 0.37
EPHX2 P34913 1/20 0.36
PRKCQ Q04759 2/20 0.36
BTK Q06187 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMYD3 Q9H7B4 1/20 0.34
POLB P06746 1/20 0.34

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
Oxalic Acid SCHEMBL4354003 0.89 RPS6KB1 (0.45) SLC6A2SLC6A4SLC6A3RPS6KB1GSK3B
Oxalic Acid SCHEMBL4354000 0.89 RPS6KB1 (0.45) SLC6A2SLC6A4SLC6A3RPS6KB1GSK3B
SCHEMBL2911012 0.87 NAPEPLD (0.41) SLC6A2SLC6A4SLC6A3RPS6KB1GSK3B
SCHEMBL2910280 0.84 PDE10A (0.45) SLC6A2SLC6A4SLC6A3RPS6KB1GSK3B
SCHEMBL2908444 0.84 PDE10A (0.45) SLC6A2SLC6A4SLC6A3RPS6KB1GSK3B
SCHEMBL90572 0.84 PDE10A (0.45) SLC6A2SLC6A4SLC6A3RPS6KB1GSK3B
SCHEMBL27765904 0.84 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3RPS6KB1GSK3B
Hydrochloric Acid SCHEMBL27510131 0.83 GSK3B (0.45) SLC6A2SLC6A4SLC6A3RPS6KB1GSK3B
Hydrochloric Acid SCHEMBL10626673 0.83 GSK3B (0.45) SLC6A2SLC6A4SLC6A3RPS6KB1GSK3B
SCHEMBL27765905 0.79 NAPEPLD (0.42) SLC6A2SLC6A4SLC6A3RPS6KB1GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2038260-B1 STEREOSELECTIVE SYNTHESIS OF (S)-1-METHYL-3-PHENYLPIPERAZINE ORGANON NV (NL) 2010-09-01 EP disclosed
US-20100036126-A1 STEREOSELECTIVE SYNTHESIS OF (S)-1-METHYL-3-PHENYLPIPERAZINE N.V. ORGANON (NL) 2010-02-11 US disclosed
EP-2038260-A1 STEREOSELECTIVE SYNTHESIS OF (S)-1-METHYL-3-PHENYLPIPERAZINE N.V. Organon (NL) 2009-03-25 EP disclosed
WO-2007144409-A1 STEREOSELECTIVE SYNTHESIS OF (S)-1-METHYL-3-PHENYLPIPERAZINE N.V. ORGANON (NL) 2007-12-21 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 (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-20100036126-A1 STEREOSELECTIVE SYNTHESIS OF (S)-1-METHYL-3-PHENYLPIPERAZINE THOP1, PRSS1, DPEP1 SLC6A2 4580/4885SLC6A4 4243/4885SLC6A3 4220/4885

“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.