SCHEMBL12232271

SCHEMBL12232271

C[C@@H]1CN(c2ccc(Cl)cc2)CCN1CC(=O)Nc1ccc2c(c1)CC(=O)N2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.47
▸ TSHR P16473 3/20 0.47
▸ LMNA P02545 3/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ CYP1A2 P05177 2/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ CYP2D6 P10635 2/20 0.47
▸ CYP2C9 P11712 2/20 0.47
▸ CYP2C19 P33261 2/20 0.47
▸ GAA P10253 3/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ KCNH2 Q12809 1/20 0.45
▸ HTT P42858 2/20 0.44
▸ FPR2 P25090 1/20 0.44
▸ BRD4 O60885 3/20 0.44
▸ TP53 P04637 1/20 0.44
▸ SMYD3 Q9H7B4 1/20 0.43
▸ CACNA1G O43497 1/20 0.42

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
SCHEMBL12233851 0.92 MAPT (0.46) MAPTTSHRLMNAMEN1KMT2A
SCHEMBL12232676 0.89 GRIN1 (0.44) MAPTTSHRLMNAMEN1KMT2A
SCHEMBL12232669 0.85 MAPT (0.65) MAPTTSHRLMNAMEN1KMT2A
SCHEMBL12232787 0.83 GRIN1 (0.48) KMT2AGAAKCNH2BRD4SMYD3
SCHEMBL12232273 0.83 MAPT (0.48) MAPTTSHRLMNAMEN1KMT2A
SCHEMBL12232686 0.81 HDAC3 (0.43) MAPTTSHRLMNAMEN1KMT2A
SCHEMBL12232312 0.79 MAPT (0.45) MAPTTSHRLMNAMEN1KMT2A
SCHEMBL12232996 0.79 MAPT (0.45) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL12232291 0.76 MAPT (0.64) MAPTTSHRLMNAMEN1KMT2A
SCHEMBL23097728 0.76 KCNH2 (0.56) GAAKCNH2HRH3

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 4089/4885TSHR 373/4885LMNA 2773/4885

“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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