SCHEMBL4486168

SCHEMBL4486168

CC(N)CN1CCN(c2ccccn2)CC1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.56
ALDH1A1 P00352 6/20 0.55
POLB P06746 3/20 0.55
LMNA P02545 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
MAPT P10636 2/20 0.55
HPGD P15428 1/20 0.55
MAPK1 P28482 1/20 0.55
HSD17B10 Q99714 1/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
KDM4E B2RXH2 2/20 0.52
KCNH2 Q12809 1/20 0.52
HTR1A P08908 1/20 0.52
DRD2 P14416 1/20 0.52
DRD4 P21917 1/20 0.52

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
SCHEMBL4491439 1.00 IGF1R (0.56) IGF1RALDH1A1POLBLMNASMN1; SMN2
SCHEMBL10147158 0.88 IGF1R (0.59) IGF1RALDH1A1POLBLMNASMN1; SMN2
SCHEMBL19003598 0.85 IGF1R (0.56) IGF1RALDH1A1POLBLMNASMN1; SMN2
SCHEMBL30874651 0.85 IGF1R (0.64) IGF1RALDH1A1POLBLMNASMN1; SMN2
SCHEMBL4327178 0.81 KDM4E (0.49) ALDH1A1POLBLMNASMN1; SMN2MAPT
SCHEMBL4510842 0.81 SORD (0.49) IGF1RALDH1A1POLBLMNASMN1; SMN2
SCHEMBL22639728 0.80 HTR1A (0.57) IGF1RALDH1A1POLBLMNASMN1; SMN2
SCHEMBL22639898 0.80 HTR1A (0.57) IGF1RALDH1A1POLBLMNASMN1; SMN2
Hydrochloric Acid SCHEMBL4483202 0.80 KDM4E (0.48) ALDH1A1LMNASMN1; SMN2MAPTMEN1
SCHEMBL31697363 0.80 KDM4E (0.54) ALDH1A1POLBSMN1; SMN2MAPTHSD17B10

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 6 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
EP-1917262-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS P2X3 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2008-05-07 EP disclosed
WO-2007020194-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS P2X3 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-02-22 WO 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 IGF1R 2642/4885ALDH1A1 2159/4885POLB 2936/4885

“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.