SCHEMBL12232312

SCHEMBL12232312

C[C@@H]1CN(c2ccc(Cl)cc2)CCN1CC(=O)Nc1ccc2[nH]c(=O)ccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.45
▸ KMT2A Q03164 5/20 0.45
▸ LMNA P02545 4/20 0.45
▸ MEN1 O00255 4/20 0.45
▸ TSHR P16473 3/20 0.45
▸ CYP1A2 P05177 2/20 0.45
▸ CYP3A4 P08684 2/20 0.45
▸ CYP2D6 P10635 2/20 0.45
▸ CYP2C9 P11712 2/20 0.45
▸ CYP2C19 P33261 2/20 0.45
▸ KCNH2 Q12809 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ HRH3 Q9Y5N1 1/20 0.42
▸ HTT P42858 2/20 0.42
▸ FPR2 P25090 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ GAA P10253 1/20 0.41
▸ RAD52 P43351 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
SCHEMBL12232537 0.90 POLB (0.41) MAPTKMT2ALMNAMEN1ALDH1A1
SCHEMBL12232315 0.89 CHRM2 (0.41) MAPTKMT2ALMNAMEN1TSHR
SCHEMBL12232828 0.89 TRPV1 (0.41) MAPTKMT2ALMNAMEN1TSHR
SCHEMBL12232823 0.84 MAPT (0.64) MAPTKMT2ALMNAMEN1TSHR
SCHEMBL12232718 0.84 RXFP1 (0.41) MAPTKMT2AMEN1TSHRCYP3A4
SCHEMBL12233863 0.83 KCNH2 (0.43) MAPTLMNAKCNH2TP53POLB
SCHEMBL12232313 0.80 KCNH2 (0.44) MAPTKMT2ALMNAMEN1KCNH2
SCHEMBL12232271 0.79 MAPT (0.47) MAPTKMT2ALMNAMEN1TSHR
SCHEMBL12232831 0.79 TRPV1 (0.49) MAPTKMT2ALMNAMEN1ALDH1A1
SCHEMBL12233851 0.78 MAPT (0.46) MAPTKMT2ALMNAMEN1TSHR

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 972/4885LMNA 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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