SCHEMBL4814964

SCHEMBL4814964

COc1cccc(C2(CN)CCN(C(=O)CN3CCN(c4cnccn4)CC3)CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
TSHR P16473 1/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
NPY1R P25929 1/20 0.42
LMNA P02545 1/20 0.42
HRH3 Q9Y5N1 4/20 0.41
DRD4 P21917 2/20 0.40
HTR4 Q13639 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL4812357 0.89 ALDH1A1 (0.61) ALDH1A1TSHRKMT2AMEN1NPY1R
SCHEMBL4806920 0.87 MEN1 (0.46) ALDH1A1TSHRKMT2AMEN1DRD4
SCHEMBL5760860 0.86 SLC6A7 (0.46) ALDH1A1KMT2AMEN1LMNAHRH3
SCHEMBL4808418 0.86 KMT2A (0.48) ALDH1A1TSHRKMT2AMEN1NPY1R
SCHEMBL2809020 0.85 KDM4E (0.47) ALDH1A1TSHRKMT2AMEN1LMNA
Trifluoroacetic Acid SCHEMBL4810619 0.82 TACR1 (0.42) ALDH1A1KMT2AMEN1DRD4TP53
SCHEMBL5755134 0.81 GFER (0.44) TSHRKMT2AMEN1HRH3DRD4
SCHEMBL6183516 0.81 KMT2A (0.45) ALDH1A1TSHRKMT2AMEN1NPY1R
SCHEMBL4810072 0.78 ALDH1A1 (0.48) ALDH1A1KMT2AMEN1NPY1RLMNA
SCHEMBL4811981 0.77 KDM4E (0.48) ALDH1A1TSHRKMT2AMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7468368-B2 Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof SANOFI AVENTIS (FR) 2008-12-23 US disclosed
EP-1513835-B1 PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2006-08-16 EP disclosed
US-20050176722-A1 Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2005-08-11 US disclosed
EP-1513835-A1 PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2005-03-16 EP disclosed
WO-2003104225-A1 PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-SYNTHELABO (FR) 2003-12-18 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-20050176722-A1 Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof NR5A2, NR3C1, CBR1 ALDH1A1 445/4885TSHR 192/4885KMT2A 3684/4885

“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.