SCHEMBL12232802

SCHEMBL12232802

C[C@@H]1CN(CC(=O)Nc2ccc3[nH]c(=O)n(C)c3c2)CCN1c1ccc(Cl)c(F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ LMNA P02545 3/20 0.42
▸ TSHR P16473 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ KDM4E B2RXH2 4/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ TP53 P04637 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HPGD P15428 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ MMP2 P08253 1/20 0.40
▸ ADAMTS5 Q9UNA0 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL12233837 0.92 ALDH1A1 (0.42) MAPTKMT2AMEN1LMNATSHR
SCHEMBL12232807 0.92 MAPT (0.41) MAPTKMT2AMEN1LMNATSHR
SCHEMBL12232997 0.90 DRD2 (0.47) MAPTKMT2AMEN1LMNATSHR
SCHEMBL12233005 0.87 MAPT (0.54) MAPTKMT2AMEN1LMNATSHR
SCHEMBL12233009 0.87 KDM4E (0.44) MAPTKMT2AMEN1LMNATSHR
SCHEMBL12232515 0.85 CHRM2 (0.44) MAPTKMT2AMEN1LMNATSHR
SCHEMBL12232824 0.84 MAPT (0.42) MAPTKMT2AMEN1LMNATSHR
SCHEMBL12232500 0.84 ADAMTS5 (0.44) MMP2ADAMTS5
SCHEMBL12232254 0.84 ENPP2 (0.48) —
SCHEMBL12232680 0.82 ADAMTS5 (0.49) MMP2ADAMTS5

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-20110251212-A1 PIPERAZINE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2011-10-13 — — 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-20110251212-A1 PIPERAZINE DERIVATIVES GRIN2C, NR2C2, GRIN3A MAPT 4089/4885KMT2A 972/4885MEN1 4460/4885

“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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