SCHEMBL5031958

SCHEMBL5031958

N#CC[C@@H]1C[C@H](N)CC[C@@H]1N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
KDM1A O60341 2/20 0.34
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31
PGGT1B P53609 1/20 0.31
RORC P51449 1/20 0.31
SLC18A3 Q16572 1/20 0.31
CA2 P00918 1/20 0.31
YTHDC1 Q96MU7 1/20 0.30
AOC3 Q16853 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30

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
SCHEMBL5033614 0.78 PTGES (0.38) ALDH1A1RORCMEN1KMT2AMAOA
SCHEMBL5029381 0.78 SLC6A4 (0.38) SLC6A2SLC6A4RORCSLC18A3YTHDC1
SCHEMBL5033608 0.78 PTGES (0.38) ALDH1A1RORCMEN1KMT2AMAOA
SCHEMBL17440250 0.77 CTSD (0.40) ALDH1A1KDM1AMEN1KMT2AMAOA
SCHEMBL28810381 0.73 SLC6A2 (0.38) ALDH1A1SLC6A2SLC6A4SLC18A3CA2
SCHEMBL372240 0.68 YTHDC1 (0.51) ALDH1A1KDM1ASLC6A2SLC6A4CA2
SCHEMBL372241 0.68 YTHDC1 (0.51) ALDH1A1KDM1ASLC6A2SLC6A4CA2
SCHEMBL13280564 0.67 TRPM8 (0.46) ALDH1A1KDM1ASLC6A2SLC6A4CA2
Hydrochloric Acid SCHEMBL30335838 0.66 YTHDC1 (0.50) ALDH1A1KDM1ASLC6A2SLC6A4CA2
SCHEMBL10575235 0.66 SLC18A3 (0.46) ALDH1A1SLC6A2SLC6A4SLC18A3CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7378409-B2 Substituted cycloalkylamine derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-27 US disclosed
US-20050054626-A1 Substituted cycloalkylamine derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2005-03-10 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-20050054626-A1 Substituted cycloalkylamine derivatives as modulators of chemokine receptor activity CCL11, CCR1, CCR2 ALDH1A1 827/4885KDM1A 3865/4885SLC6A2 2558/4885

“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.