SCHEMBL6440109

SCHEMBL6440109

CC(C)(C)[Si](C)(C)OC1CCN([C@@H]2CCN(Cc3ccccc3)C[C@@H]2c2ccc(Cl)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.40
ACHE P22303 2/20 0.40
BACE1 P56817 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SLC18A3 Q16572 2/20 0.39
ALDH1A1 P00352 1/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38

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
SCHEMBL1804779 0.80 ACHE (0.48) BCHEACHEBACE1ALDH1A1
SCHEMBL1235952 0.80 ACHE (0.48) BCHEACHEBACE1ALDH1A1
SCHEMBL12099306 0.80 ACHE (0.54) BCHEACHEMEN1KMT2ADRD2
SCHEMBL6439494 0.79 SLC18A3 (0.51) BCHEACHEBACE1MEN1KMT2A
SCHEMBL6441171 0.79 SLC18A3 (0.48) BCHEACHEBACE1MEN1KMT2A
SCHEMBL6441170 0.79 SLC18A3 (0.48) BCHEACHEBACE1MEN1KMT2A
SCHEMBL6442345 0.77 SIGMAR1 (0.48) BCHEACHEBACE1MEN1KMT2A
SCHEMBL6442347 0.77 SIGMAR1 (0.48) BCHEACHEBACE1MEN1KMT2A
SCHEMBL20722666 0.75 SIGMAR1 (0.47) BCHEACHEALDH1A1DRD4
SCHEMBL6855792 0.73 BCHE (0.53) BCHEALDH1A1DRD2

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
EP-1360184-B1 PIPERIDINE DERIVATIVES AS NEUROKININ 1 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2005-03-30 EP disclosed
US-6642226-B2 Such as cis-(3,5-bis-trifluoromethyl-phenyl)-(4-(4-methyl-piperazin-1-yl),-3-phenyl -piperidin-1-yl)-methanone; for treatment of diseases related to neurokinin receptors HOFFMAN-LA ROCHE INC. 2003-11-04 US disclosed
US-20020151547-A1 Substituted phenyl-piperidine methanone compounds F.HOFFMANN-LA ROCHE AG (CH) 2002-10-17 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-20020151547-A1 Substituted phenyl-piperidine methanone compounds TACR1, OPRK1, TACR2 BCHE 4801/4885ACHE 4463/4885BACE1 4228/4885

“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.