SCHEMBL13928031

SCHEMBL13928031

CC1CCN(C(=O)CCc2ccc(CN3C[C@@H](C)N[C@@H](C)C3)cc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MLNR O43193 10/20 0.69
▸ CYP3A4 P08684 7/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ ALDH1A1 P00352 2/20 0.52
▸ MAPT P10636 2/20 0.52
▸ HPGD P15428 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ CYP2D6 P10635 1/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ POLB P06746 1/20 0.46

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
SCHEMBL13928032 0.88 MLNR (0.70) MLNRCYP3A4KMT2ACYP2D6
SCHEMBL1704619 0.82 MLNR (1.00) MLNRCYP3A4CYP2D6
SCHEMBL13504053 0.80 SMN1; SMN2 (0.69) KMT2AALDH1A1MAPTHPGDLMNA
SCHEMBL1704769 0.79 MLNR (1.00) MLNRCYP3A4CYP2D6
SCHEMBL13928035 0.79 MLNR (0.70) MLNRCYP3A4CYP2D6
SCHEMBL13928034 0.79 MLNR (0.70) MLNRCYP3A4POLB
SCHEMBL14028152 0.77 POLB (0.73) KMT2AALDH1A1MAPTHPGDLMNA
SCHEMBL13928027 0.76 KMT2A (0.59) KMT2AALDH1A1MAPTHPGDLMNA
SCHEMBL23252437 0.74 HRH3 (0.64) KMT2AALDH1A1MAPTHPGDLMNA
SCHEMBL1704131 0.72 MLNR (1.00) MLNRCYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054456-A1 BENZYLPIPERAZINE DERIVATIVES AND THEIR MEDICAL USE GLAXO GROUP LIMITED (GB) 2009-02-26 — — 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-20090054456-A1 BENZYLPIPERAZINE DERIVATIVES AND THEIR MEDICAL USE GPR68, GPR88, GPR55 MLNR 87/4885CYP3A4 606/4885KMT2A 3278/4885

“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.

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