SCHEMBL3544201

SCHEMBL3544201

CCn1nnc(-c2ccc(CN3CCC(C(Cl)c4ccc(OC(F)(F)F)cc4)CC3)cc2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
ALDH1A1 P00352 2/20 0.47
TEAD1 P28347 2/20 0.42
ACHE P22303 4/20 0.42
BCHE P06276 3/20 0.42
BACE1 P56817 3/20 0.42
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
JAK3 P52333 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
USP2 O75604 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GAA P10253 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
MMP7 P09237 1/20 0.39

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
SCHEMBL3541255 0.77 TSHR (0.48) TSHRALDH1A1CHRM2CHRM1MEN1
SCHEMBL5102977 0.77 CHRM2 (0.47) TSHRALDH1A1ACHECHRM2CHRM1
SCHEMBL3543063 0.75 ALDH1A1 (0.41) TSHRALDH1A1TEAD1ACHEBCHE
SCHEMBL3543064 0.74 ALDH1A1 (0.41) TSHRALDH1A1TEAD1ACHEBCHE
SCHEMBL3544658 0.73 ALDH1A1 (0.40) TSHRALDH1A1TEAD1ACHEBCHE
SCHEMBL7466544 0.72 ALDH1A1 (0.49) TSHRALDH1A1TEAD1ACHEBCHE
SCHEMBL7469010 0.71 DNMT1 (0.53) TSHRALDH1A1ACHEBCHEBACE1
SCHEMBL27627242 0.71 SMN1; SMN2 (0.54) TSHRALDH1A1MEN1KMT2AUSP2
SCHEMBL3539289 0.69 KDM4E (0.61) ALDH1A1MEN1KMT2AGAAATM
SCHEMBL17033950 0.69 TSHR (0.69) TSHRALDH1A1TEAD1ACHEBCHE

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 TSHR 1422/4885ALDH1A1 1706/4885TEAD1 2845/4885
US-20080090828-A1 N-(substituted arylmethyl)-4-(disubstituted methyl) piperidines and pyridines DDT, DRD4, QDPR TSHR 1186/4885ALDH1A1 1757/4885TEAD1 2691/4885

“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.