SCHEMBL4749293

SCHEMBL4749293

NCc1ccc(C(=O)N(Cc2ccccc2)N2CCOCC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.43
BCHE P06276 1/20 0.42
ALDH1A1 P00352 1/20 0.42
SNCA P37840 1/20 0.41
NCF1 P14598 1/20 0.41
NAMPT P43490 1/20 0.40
FKBP1A P62942 1/20 0.40
HIF1A Q16665 1/20 0.40
EPAS1 Q99814 1/20 0.40
AOC3 Q16853 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.39
MAPT P10636 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
Hydrochloric Acid SCHEMBL4889022 0.99 ACHE (0.42) ACHEBCHEALDH1A1SNCANCF1
SCHEMBL4889055 0.86 ALDH1A1 (0.49) ACHEBCHEALDH1A1NAMPTHIF1A
SCHEMBL4748284 0.79 SNCA (0.44) ACHEBCHEALDH1A1SNCANAMPT
SCHEMBL14004473 0.79 SNCA (0.44) ACHEBCHEALDH1A1SNCANAMPT
SCHEMBL4748285 0.79 SNCA (0.44) ACHEBCHEALDH1A1SNCANAMPT
SCHEMBL4898157 0.77 ALDH1A1 (0.50) BCHEALDH1A1HDAC1HDAC6MAPT
SCHEMBL14070632 0.70 ALDH1A1 (0.41) ALDH1A1NAMPTHDAC8HDAC6POLB
SCHEMBL4018453 0.70 LOXL2 (0.56) ALDH1A1HDAC3HDAC1HDAC7HDAC10
SCHEMBL19580519 0.69 PHGDH (0.63) ALDH1A1POLBTSHRMAPT
SCHEMBL7958886 0.69 AGER (0.47) ACHENAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293711-A1 Chemokine receptor modulators METASTATIX, INC. 2008-11-27 US disclosed
US-20080293711-A1 Chemokine receptor modulators METASTATIX, INC. 2008-11-27 US disclosed
US-20080293711-A1 Chemokine receptor modulators METASTATIX, INC. 2008-11-27 US disclosed
WO-2008112156-A1 CHEMOKINE RECEPTOR MODULATORS ALTIRIS THERAPEUTICS (US) 2008-09-18 WO disclosed
WO-2008112156-A1 CHEMOKINE RECEPTOR MODULATORS ALTIRIS THERAPEUTICS (US) 2008-09-18 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 (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-20080293711-A1 Chemokine receptor modulators CCR5, CCL2, CXCR4 ACHE 4875/4885BCHE 4575/4885ALDH1A1 1359/4885

“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.