SCHEMBL4490876

SCHEMBL4490876

NC(c1nc2ccccc2[nH]1)C1CCNCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
IDO1 P14902 1/20 0.51
POLB P06746 1/20 0.51
TAAR1 Q96RJ0 1/20 0.50
HTR3A P46098 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
MASP2 O00187 1/20 0.43
MEN1 O00255 1/20 0.43
NUDT1 P36639 1/20 0.43
KMT2A Q03164 1/20 0.43
AOC3 Q16853 1/20 0.43
KDM4E B2RXH2 2/20 0.43
MLKL Q8NB16 3/20 0.42
TSHR P16473 1/20 0.42
NPC1 O15118 1/20 0.42
ABCB11 O95342 1/20 0.42
TP53 P04637 1/20 0.42
PKM P14618 1/20 0.42
RAB9A P51151 1/20 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
SCHEMBL38663558 0.88 LMNA (0.53) ALDH1A1IDO1POLBTAAR1SMN1; SMN2
Trifluoroacetic Acid SCHEMBL4527536 0.87 LMNA (0.44) ALDH1A1IDO1POLBTAAR1SMN1; SMN2
Hydrochloric Acid SCHEMBL9373554 0.82 IDO1 (0.57) ALDH1A1IDO1POLBTAAR1HTR3A
SCHEMBL1099367 0.77 ALDH1A1 (0.58) ALDH1A1IDO1POLBTAAR1SMN1; SMN2
Hydrochloric Acid SCHEMBL1598226 0.76 SMN1; SMN2 (0.45) ALDH1A1IDO1POLBTAAR1SMN1; SMN2
SCHEMBL1729339 0.76 TSHR (0.46) ALDH1A1IDO1POLBSMN1; SMN2LMNA
SCHEMBL12474350 0.74 MLKL (0.49) ALDH1A1IDO1POLBTAAR1HTR3A
SCHEMBL4504443 0.74 PKN1 (0.45) GAA
SCHEMBL12737571 0.73 TAAR1 (0.68) ALDH1A1IDO1POLBTAAR1SMN1; SMN2
SCHEMBL524001 0.73 TAAR1 (0.68) ALDH1A1IDO1POLBTAAR1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7517875-B2 Piperidine derivatives having CCR3 antagonism TEIJIN LIMITED (JP) 2009-04-14 US disclosed
US-20070032525-A1 Piperidine derivatives having ccr3 antagonism TEIJIN LIMITED, A JAPANESE BODY CORPORATE (JP) 2007-02-08 US disclosed
EP-1502916-A1 PIPERIDINE DERIVATIVES HAVING CCR3 ANTAGONISM TEIJIN LIMITED (JP) 2005-02-02 EP 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-20070032525-A1 Piperidine derivatives having ccr3 antagonism CCR3, CCR1, CCR4 ALDH1A1 451/4885IDO1 268/4885POLB 3628/4885

“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.