SCHEMBL6335337

SCHEMBL6335337

Cc1ccc(N2CCN(CC(=O)Nc3c(C)cccc3C)CC2C)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.51
ALDH1A1 P00352 6/20 0.51
KDM4E B2RXH2 5/20 0.51
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
LMNA P02545 4/20 0.51
HTT P42858 3/20 0.51
NPSR1 Q6W5P4 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HIF1A Q16665 1/20 0.51
MAPK1 P28482 3/20 0.49
HPGD P15428 2/20 0.49
HSD17B10 Q99714 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
TP53 P04637 1/20 0.49
ADRB1 P08588 2/20 0.47
CYP3A4 P08684 2/20 0.47
ADRA2A P08913 2/20 0.47
CYP2D6 P10635 2/20 0.47
ADRA2B P18089 2/20 0.47

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
SCHEMBL2327539 0.79 ALDH1A1 (0.64) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL6343148 0.76 ALDH1A1 (0.52) ALDH1A1MEN1KMT2ALMNANPSR1
SCHEMBL6332457 0.75 PI4KB (0.40) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL6334608 0.75 LMNA (0.42) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL8556384 0.74 MEN1 (0.60) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL26007622 0.74 ALDH1A1 (0.58) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL6261397 0.74 ALOX15 (0.74) ALDH1A1KDM4EMEN1KMT2ALMNA
Pyrrocaine SCHEMBL25718 0.74 MEN1 (0.70) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL22305266 0.74 KDM4E (0.57) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL5232256 0.74 ALDH1A1 (0.52) MAPTALDH1A1MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050272745-A1 Novel piperidine and piperazine derivatives ASTRAZENECA AB 2005-12-08 US claimed
US-6969713-B2 Piperidine and piperazine acetamide derivatives ASTRAZENECA AB (SE) 2005-11-29 US claimed
EP-1242427-B1 NOVEL PIPERIDINE AND PIPERAZINE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2003-08-13 EP claimed
US-20030013721-A1 Novel piperidine and piperazine derivatives ASTRAZENECA AB (SE) 2003-01-16 US claimed
EP-1242427-A1 NOVEL PIPERIDINE AND PIPERAZINE DERIVATIVES AstraZeneca AB (SE) 2002-09-25 EP claimed
WO-2001046200-A1 NOVEL PIPERIDINE AND PIPERAZINE DERIVATIVES ASTRAZENECA AB (SE) 2001-06-28 WO claimed
US-20050272745-A1 Novel piperidine and piperazine derivatives ASTRAZENECA AB 2005-12-08 US disclosed
US-6969713-B2 Piperidine and piperazine acetamide derivatives ASTRAZENECA AB (SE) 2005-11-29 US disclosed
EP-1242427-B1 NOVEL PIPERIDINE AND PIPERAZINE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2003-08-13 EP disclosed
US-20030013721-A1 Novel piperidine and piperazine derivatives ASTRAZENECA AB (SE) 2003-01-16 US disclosed
EP-1242427-A1 NOVEL PIPERIDINE AND PIPERAZINE DERIVATIVES AstraZeneca AB (SE) 2002-09-25 EP disclosed
WO-2001046200-A1 NOVEL PIPERIDINE AND PIPERAZINE DERIVATIVES ASTRAZENECA AB (SE) 2001-06-28 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 (2 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-20050272745-A1 Novel piperidine and piperazine derivatives CYP3A5, IL5, ABCC5 MAPT 2904/4885ALDH1A1 187/4885KDM4E 1104/4885
US-20030013721-A1 Novel piperidine and piperazine derivatives IL5, VIP, EP300 MAPT 2682/4885ALDH1A1 68/4885KDM4E 1566/4885

“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.