SCHEMBL3603236

SCHEMBL3603236

Cc1ccc(-c2ccc3ccn(CC(=O)NCCN4CCOCC4)c3c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.55
▸ CD274 Q9NZQ7 2/20 0.54
▸ TSHR P16473 3/20 0.53
▸ HTT P42858 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.51
▸ MEN1 O00255 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ GAA P10253 2/20 0.49
▸ GRIN2B Q13224 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ KDM4E B2RXH2 2/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.45

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
SCHEMBL3596487 0.94 KDM4E (0.54) POLBCD274TSHRHTTMEN1
SCHEMBL3605190 0.91 KMT2A (0.49) POLBCD274TSHRHTTALDH1A1
SCHEMBL3602569 0.90 KMT2A (0.48) POLBCD274TSHRHTTALDH1A1
SCHEMBL3597719 0.90 KMT2A (0.48) POLBCD274TSHRHTTALDH1A1
SCHEMBL3608056 0.88 GRIN2B (0.41) POLBCD274TSHRHTTALDH1A1
SCHEMBL3604427 0.87 GRIN2B (0.45) POLBCD274HTTALDH1A1CYP3A4
SCHEMBL3601480 0.83 GAA (0.49) POLBALDH1A1CYP3A4CYP2C19KMT2A
SCHEMBL3606199 0.83 KMT2A (0.41) POLBTSHRALDH1A1MEN1KMT2A
SCHEMBL3608528 0.82 MTNR1A (0.47) POLBTSHRHTTALDH1A1MEN1
SCHEMBL13115710 0.81 GRIN2B (0.45) POLBTSHRALDH1A1MEN1CYP3A4

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 POLB 4479/4885CD274 540/4885TSHR 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.

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