SCHEMBL4498844

SCHEMBL4498844

CC(N)CN1CCNCC1c1ccccn1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.41
PLD1 Q13393 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
HTR2A P28223 3/20 0.34
HTR2C P28335 3/20 0.34
HTR2B P41595 3/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HTR7 P34969 1/20 0.34
SLC6A4 P31645 1/20 0.34
DPP4 P27487 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
CXCR4 P61073 2/20 0.33
TP53 P04637 1/20 0.33
RIPK1 Q13546 1/20 0.33

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
SCHEMBL8145269 0.81 SIGMAR1 (0.48) SIGMAR1PLD1TDP1ALDH1A1MAPT
SCHEMBL6190053 0.79 SIGMAR1 (0.43) SIGMAR1PLD1ALDH1A1RIPK1
SCHEMBL27432858 0.78 SIGMAR1 (0.51) SIGMAR1PLD1TDP1HTR2AHTR2C
SCHEMBL8134785 0.77 SIGMAR1 (0.42) SIGMAR1PLD1HTR2AHTR2CHTR2B
SCHEMBL2900748 0.76 PLD1 (0.42) SIGMAR1PLD1HTR2AHTR2CHTR2B
SCHEMBL31232802 0.76 PLD1 (0.42) SIGMAR1PLD1HTR2AHTR2CHTR2B
SCHEMBL9047401 0.75 SIGMAR1 (0.44) SIGMAR1PLD1HTR2AHTR2CHTR2B
SCHEMBL7400894 0.72 PLD1 (0.40) SIGMAR1PLD1HTR2AHTR2CHTR2B
SCHEMBL5321655 0.70 RIPK1 (0.40) SIGMAR1PLD1HTR2AHTR2CHTR2B
SCHEMBL28938508 0.70 HSD11B1 (0.40) SIGMAR1HTR2AHTR2CHTR2BDPP4

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
CN-102659774-A Piperidine and piperazine derivatives as P2X3 antagonists HOFFMANN LA ROCHE 2012-09-12 CN disclosed
EP-1917262-B1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS P2X3 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2011-12-14 EP disclosed
US-7491821-B2 2-(4-fluorophenyl)-4-propyl-oxazole-5-carboxylic acid {2-[4-(6-aminopyridin-2-yl)-piperazin-1-yl]-1-methyl-ethyl}amide; purinergic receptor antagonists, analgesics; urogenital, gastointestinal and respiratory system disorders ROCHE PALO ALTO LLC (US) 2009-02-17 US disclosed
US-20070037974-A1 Inhibitors of P2X3 ROCHE PALO ALTO LLC 2007-02-15 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 (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-20070037974-A1 Inhibitors of P2X3 P2RX3, P2RX4, P2RX5 SIGMAR1 58/4885PLD1 4282/4885TDP1 2847/4885

“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.