SCHEMBL4247455

SCHEMBL4247455

C[C@@H]1CN(c2cccc3nc[nH]c23)CCN1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 2/20 0.39
MKNK2 Q9HBH9 2/20 0.39
CDK1 P06493 1/20 0.39
CDK2 P24941 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
PRKCQ Q04759 3/20 0.38
PRKCD Q05655 1/20 0.38
HTR2C P28335 1/20 0.38
PIM2 Q9P1W9 3/20 0.37
ROCK2 O75116 1/20 0.37
FLT3 P36888 1/20 0.37
CAMK2D Q13557 1/20 0.37
KHK P50053 2/20 0.36
PIM1 P11309 2/20 0.36
KIT P10721 1/20 0.36
PIM3 Q86V86 1/20 0.35

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
SCHEMBL4246453 1.00 MKNK1 (0.39) MKNK1MKNK2CDK1CDK2ALDH1A1
SCHEMBL4246451 0.80 DRD2 (0.50) ALDH1A1LMNAPRKCQPRKCDHTR2C
SCHEMBL4247449 0.80 DRD2 (0.50) ALDH1A1LMNAPRKCQPRKCDHTR2C
SCHEMBL4246449 0.80 DRD2 (0.50) ALDH1A1LMNAPRKCQPRKCDHTR2C
SCHEMBL3289568 0.79 HTR2A (0.50) ALDH1A1LMNAHTR2C
SCHEMBL20156942 0.76 ALDH1A1 (0.40) ALDH1A1LMNAPRKCQPRKCDHTR2C
SCHEMBL1537943 0.74 NCF1 (0.48) ALDH1A1LMNAHTR2C
SCHEMBL17889307 0.74 POLB (0.41) ALDH1A1LMNAADRA2AADRA2BADRA2C
SCHEMBL20141437 0.74 HTR1A (0.44) ALDH1A1LMNAPRKCQPRKCDHTR2C
SCHEMBL20141435 0.74 HTR1A (0.44) ALDH1A1LMNAPRKCQPRKCDHTR2C

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090036455-A1 ARYLPIPERAZINE DERIVATIVE AND USE THEREOF AS 5-HT1A RECEPTOR LIGANDS CEPA SCHWARZ PHARMA, S.L. (ES) 2009-02-05 US disclosed
CN-101087610-A Arylpiperazine derivatives and their use as 5-HT1AUse of receptor ligands SCHWARZ PHARMA S L (ES) 2007-12-12 CN disclosed
EP-1830854-A1 ARYLPIPERAZINE DERIVATIVES AND USE THEREOF AS 5-HT1A RECEPTOR LIGANDS Schwarz Pharma, s.l. (ES) 2007-09-12 EP disclosed
WO-2006069993-A1 ARYLPIPERAZINE DERIVATIVES AND USE THEREOF AS 5-HT1A RECEPTOR LIGANDS SCHWARZ PHARMA S.L. (ES) 2006-07-06 WO 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-20090036455-A1 ARYLPIPERAZINE DERIVATIVE AND USE THEREOF AS 5-HT1A RECEPTOR LIGANDS HTR1A, HTR5A, HTR2C MKNK1 2833/4885MKNK2 2802/4885CDK1 715/4885

“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.