SCHEMBL6344447

SCHEMBL6344447

Cc1c(F)cccc1NC(=O)CN1CC2CCC(c3ncnc4ccccc34)(C1)N2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
ATM Q13315 2/20 0.39
DRD4 P21917 4/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
DRD3 P35462 2/20 0.35
SIGMAR1 Q99720 2/20 0.35
TMEM97 Q5BJF2 1/20 0.35
POLB P06746 3/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C19 P33261 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
CYP2C9 P11712 1/20 0.35
HTT P42858 1/20 0.35
RECQL P46063 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALDH1A1 P00352 4/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
TP53 P04637 1/20 0.35
ITGA4 P13612 1/20 0.34

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
SCHEMBL6343579 0.76 SMN1; SMN2 (0.40) LMNAATMDRD4SMN1; SMN2DRD3
SCHEMBL6503511 0.74 HPGD (0.40) LMNASMN1; SMN2POLBHTTALDH1A1
SCHEMBL6336269 0.74 SMN1; SMN2 (0.39) LMNAATMSMN1; SMN2POLBCYP2D6
SCHEMBL6498456 0.74 CHRNB2 (0.43) ATMDRD4SMN1; SMN2DRD3SIGMAR1
SCHEMBL6343358 0.71 SMN1; SMN2 (0.51) LMNADRD4SMN1; SMN2DRD3SIGMAR1
Hydrochloric Acid SCHEMBL6490075 0.70 SMN1; SMN2 (0.50) LMNADRD4SMN1; SMN2DRD3SIGMAR1
SCHEMBL6336973 0.67 CDK2 (0.41) LMNAATMDRD4SMN1; SMN2HTT
SCHEMBL6340441 0.66 SMN1; SMN2 (0.52) LMNADRD4SMN1; SMN2DRD3SIGMAR1
SCHEMBL6340434 0.66 SMN1; SMN2 (0.52) LMNADRD4SMN1; SMN2DRD3SIGMAR1
SCHEMBL6408660 0.65 PSMD14 (0.32) LMNAATMSMN1; SMN2POLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 LMNA 3565/4885ATM 4269/4885DRD4 156/4885
US-20030013721-A1 Novel piperidine and piperazine derivatives IL5, VIP, EP300 LMNA 3352/4885ATM 4068/4885DRD4 355/4885

“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.