SCHEMBL7550779

SCHEMBL7550779

CCN(CC)CCN(CCN(CC)CC)c1cccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RHEB Q15382 3/20 0.47
CCR2 P41597 1/20 0.45
ACHE P22303 2/20 0.45
CYP3A4 P08684 6/20 0.41
CYP1A2 P05177 5/20 0.41
CYP2C9 P11712 5/20 0.41
CYP2D6 P10635 2/20 0.41
GAA P10253 2/20 0.41
HTT P42858 1/20 0.41
CYP2C19 P33261 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
PRMT1 Q99873 1/20 0.40
USP2 O75604 1/20 0.39
POLB P06746 1/20 0.39
BLM P54132 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL7546998 0.88 CCR2 (0.62) RHEBCCR2ACHECYP3A4CYP1A2
SCHEMBL7160211 0.88 CCR2 (0.54) RHEBCCR2ACHEGAAHTT
SCHEMBL7156630 0.88 CCR2 (0.49) RHEBCCR2ACHECYP3A4CYP1A2
SCHEMBL7554578 0.87 ACHE (0.49) ACHECYP3A4CYP1A2CYP2C9CYP2D6
SCHEMBL7553520 0.87 ACHE (0.60) ACHECYP3A4CYP1A2CYP2C9CYP2D6
SCHEMBL7554475 0.84 SMN1; SMN2 (0.52) ACHECYP3A4CYP1A2CYP2C9CYP2D6
SCHEMBL7549561 0.81 AURKA (0.51) ACHECYP3A4CYP1A2CYP2C9HTT
SCHEMBL7549554 0.81 KDM4E (0.40) ACHECYP3A4CYP1A2CYP2C9CYP2D6
SCHEMBL7546126 0.79 NPC1 (0.49) RHEBCCR2ACHECYP3A4CYP1A2
SCHEMBL7553087 0.78 AURKA (0.44) ACHECYP3A4CYP1A2CYP2C9HTT

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
US-20020099054-A1 2-phenyl benzimidazole derivatives as MCP-1 antagonists WARNER-LAMBERT COMPANY (US) 2002-07-25 US disclosed
EP-0927167-A1 2-PHENYL BENZIMIDAZOLE DERIVATIVES AS MCP-1 ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1999-07-07 EP disclosed
WO-1998006703-A1 2-PHENYL BENZIMIDAZOLE DERIVATIVES AS MCP-1 ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1998-02-19 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-20020099054-A1 2-phenyl benzimidazole derivatives as MCP-1 antagonists CCR1, CCR2, CCR8 RHEB 4371/4885CCR2 2/4885ACHE 4652/4885

“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.