SCHEMBL6340441

SCHEMBL6340441

Cc1c(F)cccc1NC(=O)CN1C[C@@H](C)N[C@@H](C)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.52
ABL1 P00519 1/20 0.47
RIN1 Q13671 1/20 0.47
ALDH1A1 P00352 9/20 0.46
KDM4E B2RXH2 1/20 0.45
HSD17B10 Q99714 2/20 0.45
TSHR P16473 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
DRD4 P21917 2/20 0.43
DRD3 P35462 2/20 0.43
SIGMAR1 Q99720 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 2/20 0.43
TP53 P04637 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
MAPT P10636 2/20 0.42
GFER P55789 1/20 0.42
HTT P42858 1/20 0.42
POLB P06746 2/20 0.42

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
SCHEMBL6340434 1.00 SMN1; SMN2 (0.52) SMN1; SMN2ABL1RIN1ALDH1A1KDM4E
SCHEMBL6343358 0.87 SMN1; SMN2 (0.51) SMN1; SMN2ABL1RIN1ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL6490075 0.86 SMN1; SMN2 (0.50) SMN1; SMN2ABL1RIN1ALDH1A1KDM4E
SCHEMBL6334537 0.83 P2RX7 (0.53) SMN1; SMN2ALDH1A1KDM4ETSHRL3MBTL1
SCHEMBL6334529 0.83 P2RX7 (0.53) SMN1; SMN2ALDH1A1KDM4ETSHRL3MBTL1
SCHEMBL6341544 0.79 HPGD (0.63) SMN1; SMN2ALDH1A1HSD17B10TSHRL3MBTL1
SCHEMBL6341543 0.79 HPGD (0.63) SMN1; SMN2ALDH1A1HSD17B10TSHRL3MBTL1
SCHEMBL5232256 0.78 ALDH1A1 (0.52) SMN1; SMN2ALDH1A1TSHRDRD4DRD3
SCHEMBL6335360 0.76 CHRNB2 (0.55) SMN1; SMN2ALDH1A1KDM4ETSHRMEN1
SCHEMBL6343128 0.76 CHRNB2 (0.48) SMN1; SMN2ALDH1A1KDM4EHSD17B10TSHR

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-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

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 SMN1; SMN2 3028/4885ABL1 1424/4885RIN1 3422/4885
US-20030013721-A1 Novel piperidine and piperazine derivatives IL5, VIP, EP300 SMN1; SMN2 2063/4885ABL1 957/4885RIN1 3177/4885

“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.