SCHEMBL4465930

SCHEMBL4465930

C[C@H](c1ccccc1)N(C(=O)O)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.57
MTOR P42345 1/20 0.50
TRPM8 Q7Z2W7 1/20 0.46
CYP2D6 P10635 1/20 0.44
SRC P12931 1/20 0.44
LMNA P02545 3/20 0.43
MAPK1 P28482 2/20 0.43
MAPT P10636 2/20 0.43
PTGS1 P23219 2/20 0.43
CXCR1 P25024 2/20 0.43
CXCR2 P25025 2/20 0.43
PTGS2 P35354 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
RECQL P46063 1/20 0.43
CYP3A4 P08684 1/20 0.43
HPGD P15428 1/20 0.43
PMP22 Q01453 1/20 0.43
SLC22A6 Q4U2R8 1/20 0.43

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
SCHEMBL15955097 0.88 ALOX5 (0.65) ALOX5MTORTRPM8LMNAKDM4E
SCHEMBL15170381 0.85 ALOX5 (0.47) ALOX5MTORTRPM8PTGS1PTGS2
SCHEMBL117598 0.80 ALOX5 (0.71) ALOX5MTOR
SCHEMBL1520362 0.80 MTOR (0.62) ALOX5MTORTRPM8CYP2D6SRC
Benzene SCHEMBL28986126 0.80 MTOR (0.62) ALOX5MTORTRPM8CYP2D6SRC
SCHEMBL28017337 0.78 ALOX5 (0.53) ALOX5MTORTRPM8CYP2D6SRC
SCHEMBL28280044 0.78 ALOX5 (0.53) ALOX5MTORTRPM8CYP2D6SRC
SCHEMBL115981 0.78 ALOX5 (0.58) ALOX5MTORTRPM8CYP2D6SRC
SCHEMBL19410268 0.78 ALOX5 (0.53) ALOX5MTORTRPM8CYP2D6SRC
SCHEMBL6750424 0.76 CYP2D6 (0.48) ALOX5CYP2D6SRCLMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7576086-B2 N1-benzyl-N4-(phenylpropane-2-yl-3-ol)piperazine; triple action on hydroxytryptamine (5-HT), noradrenalin (NA)and dopamine(DA); on brain synapses; cytochrome P-450 monooxygenase enzyme system antagonists; enzyme inhibitors; side effect reduction SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) 2009-08-18 US disclosed
US-7332495-B2 Aralkyl-ketone piperazine derivatives and their uses as new antalgic or ataractic agent NHWA PHARMA. CORPORATION (CN) 2008-02-19 US disclosed
US-20060148811-A1 Aralkyl-ketone piperazine derivatives and their uses as new antalgic or ataractic agent SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) 2006-07-06 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-20060148811-A1 Aralkyl-ketone piperazine derivatives and their uses as new antalgic or ataractic agent AAK1, KCNJ1, KHK ALOX5 210/4885MTOR 3794/4885TRPM8 1893/4885

“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.