SCHEMBL3591246

SCHEMBL3591246

Cc1cccc2ccn(CC(=O)NCCNCC3CCCCC3)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.46
MAPK1 P28482 3/20 0.46
TSHR P16473 3/20 0.46
NPC1 O15118 3/20 0.46
ALOX15 P16050 1/20 0.46
NPY5R Q15761 1/20 0.42
HSD17B10 Q99714 3/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 7/20 0.40
HPGD P15428 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
P2RX7 Q99572 1/20 0.39
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PKM P14618 1/20 0.39
RECQL P46063 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
SCHEMBL3586422 0.88 NPY5R (0.42) LMNAMAPK1TSHRNPC1ALOX15
SCHEMBL3585615 0.87 ALDH1A1 (0.41) LMNAMAPK1TSHRNPC1ALOX15
SCHEMBL3598036 0.87 HPGD (0.47) LMNAMAPK1TSHRNPY5RHSD17B10
SCHEMBL3594707 0.86 NPC1 (0.41) LMNAMAPK1TSHRNPC1ALOX15
SCHEMBL3597289 0.85 ALDH1A1 (0.41) LMNAMAPK1TSHRNPC1NPY5R
SCHEMBL3598121 0.84 POLB (0.41) LMNAMAPK1TSHRNPC1ALOX15
SCHEMBL3598310 0.83 NPC1 (0.46) LMNAMAPK1TSHRNPC1ALOX15
SCHEMBL3595022 0.82 HSD17B10 (0.55) LMNAMAPK1TSHRALOX15NPY5R
SCHEMBL3608180 0.82 HTT (0.45) LMNAMAPK1TSHRNPC1NPY5R
SCHEMBL3608260 0.82 GRIN2B (0.42) LMNAMAPK1TSHRNPC1NPY5R

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-7807704-B2 Bicyclic, nitrogen-containing compounds modulating CXCR4 and/or CCXCKR2 CHEMOCENTRYX, INC. (US) 2010-10-05 US disclosed
US-20070275965-A1 CXCR4 modulators CHEMOCENTRYX, INC. (US) 2007-11-29 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-20070275965-A1 CXCR4 modulators CXCL12, CXCR4, CXCR1 LMNA 4638/4885MAPK1 1264/4885TSHR 1277/4885

“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.