SCHEMBL3544658

SCHEMBL3544658

Cn1nnc(-c2ccc(CN3CCC(C(Oc4ccc(C(F)(F)F)cn4)c4ccc(OC(F)(F)F)cc4)CC3)cc2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
STAT3 P40763 2/20 0.39
TSHR P16473 1/20 0.38
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
SSTR5 P35346 1/20 0.36
CCR5 P51681 3/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36
CHRM4 P08173 1/20 0.35
TEAD1 P28347 2/20 0.35
PIK3CA P42336 1/20 0.35
PRKAA2 P54646 1/20 0.35
LIPE Q05469 1/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
BACE1 P56817 1/20 0.35
HCRTR1 O43613 1/20 0.35

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
SCHEMBL7466544 0.78 ALDH1A1 (0.49) ALDH1A1STAT3TSHRCHRM2CHRM1
SCHEMBL3543064 0.74 ALDH1A1 (0.41) ALDH1A1TSHRCHRM2CHRM1SSTR5
SCHEMBL3543063 0.74 ALDH1A1 (0.41) ALDH1A1TSHRCHRM2CHRM1CCR5
SCHEMBL3544201 0.73 TSHR (0.49) ALDH1A1TSHRCHRM2CHRM1JAK2
SCHEMBL645530 0.72 ALDH1A1 (0.48) ALDH1A1STAT3TSHRCHRM2CHRM1
SCHEMBL7464967 0.72 DNMT1 (0.54) ALDH1A1CCR5CHRM4BCHEACHE
SCHEMBL13846113 0.68 NPC1 (0.52) ALDH1A1LIPEBCHEACHE
SCHEMBL7470569 0.67 HDAC6 (0.43) ALDH1A1TSHR
SCHEMBL3539735 0.66 HTR2A (0.45) ALDH1A1TSHRCHRM2TEAD1
SCHEMBL7469300 0.65 KCNH2 (0.49) ALDH1A1TSHRCHRM2CHRM1JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7683070-B2 N-(substituted arylmethyl)-4-(disubstituted methyl) piperidines and pyridines FMC CORPORATION (US) 2010-03-23 US disclosed
US-20080090828-A1 N-(substituted arylmethyl)-4-(disubstituted methyl) piperidines and pyridines BAYER CROPSCIENCE AG (DE) 2008-04-17 US disclosed
US-7300946-B2 N-(substituted arylmethyl)-4-(disubstituted methyl) piperidines and pyridines BAYER CROPSCIENCE AG (DE) 2007-11-27 US disclosed
EP-1572207-A4 N-(SUBSTITUTED ARYLMETHYL)-4-(DISUBSTITUTED METHYL) PIPERIDINES AND PYRIDINES FMC CORP (US) 2006-11-29 EP disclosed
US-20060135504-A1 N-(substituted arylmethyl)-4-(disubstituted methyl) piperidines and pyridines FMC CORPORATION 2006-06-22 US disclosed
EP-1572207-A1 N-(SUBSTITUTED ARYLMETHYL)-4-(DISUBSTITUTED METHYL) PIPERIDINES AND PYRIDINES FMC CORPORATION (US) 2005-09-14 EP disclosed
WO-2004060371-A1 N-(SUBSTITUTED ARYLMETHYL)-4-(DISUBSTITUTED METHYL) PIPERIDINES AND PYRIDINES FMC CORPORATION (US) 2004-07-22 WO 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-20060135504-A1 N-(substituted arylmethyl)-4-(disubstituted methyl) piperidines and pyridines DDT, DRD4, QDPR ALDH1A1 1706/4885STAT3 4738/4885TSHR 1422/4885
US-20080090828-A1 N-(substituted arylmethyl)-4-(disubstituted methyl) piperidines and pyridines DDT, DRD4, QDPR ALDH1A1 1757/4885STAT3 4744/4885TSHR 1186/4885

“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.