SCHEMBL2911565

SCHEMBL2911565

CCCC(=O)C1C(c2ccccc2)NCCN1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.39
SIGMAR1 Q99720 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
DRD2 P14416 2/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
MEN1 O00255 2/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
ABL1 P00519 1/20 0.35
RIN1 Q13671 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
POLB P06746 1/20 0.35
PKM P14618 2/20 0.35
RIPK1 Q13546 1/20 0.35
PRCP P42785 1/20 0.34
DRD1 P21728 1/20 0.34
DRD4 P21917 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
SCHEMBL3923843 0.90 RPS6KB1 (0.38) SLC18A3SIGMAR1HRH3KMT2AALDH1A1
SCHEMBL2908423 0.89 KMT2A (0.40) SLC18A3SIGMAR1HRH3DRD2KMT2A
SCHEMBL27743375 0.83 POLB (0.40) SIGMAR1HRH3ALDH1A1TSHRPOLB
SCHEMBL2913724 0.81 POLB (0.42) SLC18A3SIGMAR1KMT2AALDH1A1LMNA
SCHEMBL2915821 0.79 ADRB1 (0.40) SIGMAR1KMT2AALDH1A1LMNAGAA
SCHEMBL2908098 0.77 KDM1A (0.37) KMT2AALDH1A1MEN1TSHRPOLB
SCHEMBL3926373 0.72 RPS6KB1 (0.39) SIGMAR1TDP1POLB
SCHEMBL28292980 0.68 MEN1 (0.36) SLC18A3SIGMAR1HRH3KMT2AALDH1A1
Formamide SCHEMBL28989148 0.68 HTR1A (0.42) SLC18A3SIGMAR1ALDH1A1TSHRTDP1
Hydrochloric Acid SCHEMBL2319277 0.68 SLC6A2 (0.52) SLC18A3SIGMAR1ALDH1A1PKMHPGD

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 SLC18A3 4523/4885SIGMAR1 1149/4885HRH3 1597/4885

“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.