SCHEMBL12232808

SCHEMBL12232808

Cn1c(=O)[nH]c2ccc(NC(=O)CN3CCN(c4ccc(Cl)cc4)CC3)cc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 12/20 0.61
▸ TSHR P16473 6/20 0.61
▸ LMNA P02545 4/20 0.61
▸ KMT2A Q03164 3/20 0.61
▸ CYP1A2 P05177 2/20 0.61
▸ CYP3A4 P08684 2/20 0.61
▸ CYP2D6 P10635 2/20 0.61
▸ CYP2C9 P11712 2/20 0.61
▸ CYP2C19 P33261 2/20 0.61
▸ MEN1 O00255 2/20 0.61
▸ HTT P42858 3/20 0.58
▸ FPR2 P25090 1/20 0.58
▸ ALDH1A1 P00352 4/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ TP53 P04637 1/20 0.56
▸ NPSR1 Q6W5P4 2/20 0.55
▸ CA1 P00915 1/20 0.54
▸ CA2 P00918 1/20 0.54
▸ CA7 P43166 1/20 0.54
▸ ALOX15 P16050 2/20 0.52

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
SCHEMBL12232679 0.89 ALDH1A1 (0.51) MAPTTSHRLMNAKMT2ACYP1A2
SCHEMBL12233005 0.88 MAPT (0.54) MAPTTSHRLMNAKMT2ACYP1A2
SCHEMBL12233841 0.88 MAPT (0.53) MAPTTSHRLMNAKMT2ACYP1A2
SCHEMBL12232997 0.85 DRD2 (0.47) MAPTTSHRLMNAKMT2ACYP1A2
SCHEMBL12233834 0.83 GRIN2D (0.48) MAPTLMNASMN1; SMN2CA2KDM4E
SCHEMBL12232524 0.82 TSHR (0.49) MAPTTSHRLMNAKMT2ACYP1A2
SCHEMBL12232280 0.80 KMT2A (0.48) MAPTLMNAKMT2ASMN1; SMN2TP53
SCHEMBL12232823 0.80 MAPT (0.64) MAPTTSHRLMNAKMT2ACYP1A2
SCHEMBL12508682 0.79 MAPT (0.62) MAPTTSHRLMNAKMT2ACYP1A2
SCHEMBL12232802 0.77 MAPT (0.42) MAPTTSHRLMNAKMT2ACYP1A2

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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