SCHEMBL4177502

SCHEMBL4177502

c1ccc(N(C2CCCC2)N2CCNCC2)nc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PLD1 Q13393 1/20 0.43
TRPM8 Q7Z2W7 7/20 0.41
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 3/20 0.39
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HTR7 P34969 1/20 0.38
HTT P42858 1/20 0.37
NPC1 O15118 1/20 0.36

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
SCHEMBL4173238 0.75 ADRB2 (0.42) PLD1ALDH1A1
SCHEMBL17329309 0.71 ALDH1A1 (0.43) PLD1TRPM8ALDH1A1SMN1; SMN2LMNA
SCHEMBL31511748 0.71 PLD1 (0.43) PLD1ALDH1A1SMN1; SMN2NPSR1HTR7
SCHEMBL8715074 0.71 PLD1 (0.45) PLD1ALDH1A1SMN1; SMN2HTR7
SCHEMBL1306110 0.68 JAK3 (0.45) PLD1TRPM8ALDH1A1SMN1; SMN2
SCHEMBL29591041 0.68 JAK3 (0.45) PLD1TRPM8ALDH1A1SMN1; SMN2
SCHEMBL14139451 0.67 LCK (0.58) TRPM8ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL3583332 0.67 HTR1A (0.42) ALDH1A1SMN1; SMN2HTR7
Hydrochloric Acid SCHEMBL4133640 0.67 JAK3 (0.44) PLD1TRPM8ALDH1A1SMN1; SMN2LMNA
SCHEMBL27863544 0.66 LCK (0.54) TRPM8ALDH1A1SMN1; SMN2LMNANPC1

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-7612076-B2 Piperazinyl-pyridine derivatives HOFFMAN-LA ROCHE INC. (US) 2009-11-03 US disclosed
US-20090042903-A1 PIPERAZINYL-PYRIDINE DERIVATIVES NETTEKOVEN MATTHIAS HEINRICH 2009-02-12 US disclosed
US-7456175-B2 Piperazinyl-pyridine derivatives HOFFMAN-LA ROCHE INC. (US) 2008-11-25 US disclosed
US-20060135528-A1 Piperazinyl-pyridine derivatives HOFFMANN-LA ROCHE INC. 2006-06-22 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-20060135528-A1 Piperazinyl-pyridine derivatives HRH4, HRH3, H1-3 PLD1 3147/4885TRPM8 810/4885ALDH1A1 814/4885
US-20090042903-A1 PIPERAZINYL-PYRIDINE DERIVATIVES HRH4, HRH3, H1-3 PLD1 3147/4885TRPM8 810/4885ALDH1A1 814/4885

“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.