SCHEMBL2908423

SCHEMBL2908423

CCC(=O)C1C(c2ccccc2)NCCN1C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.36
POLB P06746 1/20 0.36
RIPK1 Q13546 3/20 0.36
SIGMAR1 Q99720 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
OPRM1 P35372 3/20 0.35
OPRD1 P41143 3/20 0.35
OPRK1 P41145 3/20 0.35
DRD2 P14416 1/20 0.35
LMNA P02545 2/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
SLC18A3 Q16572 1/20 0.35
ADRB1 P08588 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
SCHEMBL2911565 0.89 SLC18A3 (0.39) KMT2AMEN1TSHRHTTTDP1
SCHEMBL27743375 0.85 POLB (0.40) TSHRPOLBRIPK1SIGMAR1HRH3
SCHEMBL2913724 0.84 POLB (0.42) KMT2AMEN1TSHRHTTTDP1
SCHEMBL2915821 0.81 ADRB1 (0.40) KMT2AMEN1POLBSIGMAR1LMNA
SCHEMBL3923843 0.80 RPS6KB1 (0.38) KMT2ASIGMAR1HRH3LMNAALDH1A1
SCHEMBL2908098 0.79 KDM1A (0.37) KMT2AMEN1TSHRPOLBRIPK1
SCHEMBL3926373 0.74 RPS6KB1 (0.39) TDP1POLBSIGMAR1OPRK1
Formamide SCHEMBL28989148 0.70 HTR1A (0.42) TSHRTDP1SIGMAR1ALDH1A1SLC18A3
SCHEMBL28292980 0.68 MEN1 (0.36) KMT2AMEN1TSHRHTTTDP1
SCHEMBL7072099 0.68 CHRNB2 (0.44) KMT2ATDP1POLBSIGMAR1DRD2

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 6 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
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 KMT2A 1555/4885MEN1 2733/4885TSHR 3375/4885

“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.