SCHEMBL6855153

SCHEMBL6855153

c1ccc(CCCC2CCCN2CC2CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.46
SLC18A2 Q05940 1/20 0.45
CCR5 P51681 1/20 0.43

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
SCHEMBL6857100 1.00 SLC18A3 (0.46) SLC18A3SLC18A2CCR5
SCHEMBL6851261 0.96 SLC18A3 (0.48) SLC18A3SLC18A2CCR5
SCHEMBL10686179 0.87 SLC18A2 (0.54) SLC18A2
SCHEMBL11374599 0.81 ALDH1A1 (0.44)
SCHEMBL12128577 0.81 MEN1 (0.53) SLC18A3SLC18A2
SCHEMBL9906702 0.79 SLC6A2 (0.46)
SCHEMBL7254828 0.77 SLC18A3 (0.43) SLC18A3
SCHEMBL4339380 0.77 SIGMAR1 (0.54)
SCHEMBL12128324 0.77 MEN1 (0.52) SLC18A2
SCHEMBL6854749 0.76 SIGMAR1 (0.56)

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
US-6787563-B2 ANTIDIARRHEA AGENTS; GASTROINTESTINAL DISORDERS PFIZER INC. 2004-09-07 US claimed
US-20030139448-A1 N-(cyclopropylmethyl)azacycloalkanes, compositions containing them and methods of preparation WARNER-LAMBERT COMPANY 2003-07-24 US claimed
EP-1321461-A1 N-(Cyclopropylmethyl)-azacycloalkanes, compositions containing them and methods for their preparation Warner-Lambert Company LLC (US) 2003-06-25 EP claimed
US-6787563-B2 ANTIDIARRHEA AGENTS; GASTROINTESTINAL DISORDERS PFIZER INC. 2004-09-07 US disclosed
US-20030139448-A1 N-(cyclopropylmethyl)azacycloalkanes, compositions containing them and methods of preparation WARNER-LAMBERT COMPANY 2003-07-24 US disclosed
EP-1321461-A1 N-(Cyclopropylmethyl)-azacycloalkanes, compositions containing them and methods for their preparation Warner-Lambert Company LLC (US) 2003-06-25 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-20030139448-A1 N-(cyclopropylmethyl)azacycloalkanes, compositions containing them and methods of preparation DNMT1, TPMT, AZI2 SLC18A3 4299/4885SLC18A2 4557/4885CCR5 1315/4885

“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.