SCHEMBL12232997

SCHEMBL12232997

C[C@@H]1CN(CC(=O)Nc2ccc3[nH]c(=O)n(C)c3c2)CCN1c1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 1/20 0.47
▸ DRD4 P21917 1/20 0.47
▸ MAPT P10636 9/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ LMNA P02545 3/20 0.46
▸ TSHR P16473 3/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ CYP2D6 P10635 2/20 0.46
▸ CYP2C9 P11712 2/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ ALDH1A1 P00352 5/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ KDM4E B2RXH2 3/20 0.43
▸ HPGD P15428 2/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ CALCRL Q16602 1/20 0.42
▸ HTT P42858 2/20 0.41
▸ OGA O60502 1/20 0.41

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
SCHEMBL12232802 0.90 MAPT (0.42) MAPTKMT2AMEN1LMNATSHR
SCHEMBL12233837 0.90 ALDH1A1 (0.42) MAPTKMT2AMEN1LMNATSHR
SCHEMBL12232807 0.90 MAPT (0.41) MAPTKMT2AMEN1LMNATSHR
SCHEMBL12232808 0.85 MAPT (0.61) DRD2DRD4MAPTKMT2AMEN1
SCHEMBL12233009 0.85 KDM4E (0.44) MAPTKMT2AMEN1LMNATSHR
SCHEMBL12232279 0.83 GRIN2D (0.44) DRD2DRD4MAPTLMNALRRK2
SCHEMBL12232763 0.82 ENPP2 (0.50) MAPTKMT2AMEN1LMNATSHR
SCHEMBL12232799 0.81 ADAMTS5 (0.47) DRD2DRD4
SCHEMBL12232526 0.79 BRD4 (0.42) MAPTLMNATSHRALDH1A1KDM4E
SCHEMBL12232273 0.79 MAPT (0.48) DRD2DRD4MAPTKMT2AMEN1

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 DRD2 416/4885DRD4 533/4885MAPT 4089/4885

“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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