SCHEMBL2913724

SCHEMBL2913724

CC(=O)C1C(c2ccccc2)NCCN1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.39
SLC18A3 Q16572 2/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHRNA4 P43681 1/20 0.37
GBA1 P04062 1/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TSHR P16473 2/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLC6A2 P23975 2/20 0.35
SLC6A3 Q01959 2/20 0.35
OPRK1 P41145 1/20 0.35

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
SCHEMBL27743375 0.89 POLB (0.40) POLBCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3926373 0.88 RPS6KB1 (0.39) POLBTDP1SLC6A2SLC6A3OPRK1
SCHEMBL2915821 0.85 ADRB1 (0.40) POLBALDH1A1MEN1KMT2ALMNA
SCHEMBL2908423 0.84 KMT2A (0.40) POLBTDP1SLC18A3ALDH1A1TSHR
SCHEMBL2908098 0.82 KDM1A (0.37) POLBCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL2911565 0.81 SLC18A3 (0.39) POLBTDP1SLC18A3ALDH1A1TSHR
SCHEMBL8278741 0.74 SLC6A2 (0.48) POLBSLC18A3CHRNB2CHRNB4CHRNA3
SCHEMBL3923843 0.73 RPS6KB1 (0.38) SLC18A3ALDH1A1KMT2ALMNASLC6A2
Formamide SCHEMBL28989148 0.73 HTR1A (0.42) TDP1SLC18A3CHRNB2CHRNB4CHRNA3
SCHEMBL24203568 0.72 TSHR (0.41) POLBTDP1SLC18A3GBA1ALDH1A1

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
CN-101472901-B Stereoselective synthesis of -1-methyl-3-phenylpiperazine ORGANON NV 2011-08-03 CN disclosed
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
CN-101472901-A Stereoselective synthesis of -1-methyl-3-phenylpiperazine ORGANON NV (NL) 2009-07-01 CN 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 POLB 613/4885TDP1 718/4885SLC18A3 4523/4885

“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.