SCHEMBL9911781

SCHEMBL9911781

COc1cccc(N(C)C)c1CN1CCC(Nc2nc(NCC3CCN(C(=O)OC(C)(C)C)C3)nc3ccccc23)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EHMT2 Q96KQ7 15/20 0.51
▸ KDM1A O60341 14/20 0.51
▸ RCOR1 Q9UKL0 13/20 0.51
▸ DNMT3A Q9Y6K1 1/20 0.50
▸ HDAC1 Q13547 2/20 0.42
▸ HDAC6 Q9UBN7 2/20 0.42
▸ EHMT1 Q9H9B1 1/20 0.42
▸ EZH2 Q15910 1/20 0.42
▸ PRMT1 Q99873 1/20 0.42
▸ KMT5A Q9NQR1 1/20 0.42
▸ APP P05067 1/20 0.42
▸ HDAC3 O15379 1/20 0.42
▸ HDAC4 P56524 1/20 0.42
▸ HDAC7 Q8WUI4 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ HDAC10 Q969S8 1/20 0.42
▸ HDAC11 Q96DB2 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC9 Q9UKV0 1/20 0.42
▸ HDAC5 Q9UQL6 1/20 0.42

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
SCHEMBL9911783 1.00 EHMT2 (0.51) EHMT2KDM1ARCOR1DNMT3AHDAC1
SCHEMBL9911784 1.00 EHMT2 (0.51) EHMT2KDM1ARCOR1DNMT3AHDAC1
SCHEMBL9911782 0.97 EHMT2 (0.49) EHMT2KDM1ARCOR1DNMT3AHDAC1
SCHEMBL4202905 0.92 EHMT2 (0.49) EHMT2KDM1ARCOR1DNMT3AHDAC1
SCHEMBL4207153 0.90 EHMT2 (0.48) EHMT2KDM1ARCOR1DNMT3AHDAC1
SCHEMBL9911787 0.88 EHMT2 (0.59) EHMT2KDM1ARCOR1DNMT3AEHMT1
SCHEMBL1427813 0.87 EHMT2 (0.51) EHMT2KDM1ARCOR1DNMT3AEZH2
SCHEMBL1428467 0.86 EHMT2 (0.49) EHMT2KDM1ARCOR1DNMT3AEZH2
SCHEMBL9911788 0.85 EHMT2 (0.51) EHMT2KDM1ARCOR1HDAC1HDAC6
SCHEMBL9911839 0.84 EHMT2 (0.52) EHMT2KDM1ARCOR1HDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8193203-B2 Bicyclic compounds having activity at the CXCR4 receptor ALLERGAN, INC. (US) 2012-06-05 — — US disclosed
US-8193203-B2 Bicyclic compounds having activity at the CXCR4 receptor ALLERGAN, INC. (US) 2012-06-05 — — US disclosed
US-20090312305-A1 BICYCLIC COMPOUNDS HAVING ACTIVITY AT THE CXCR4 RECEPTOR ALLERGAN, INC. (US) 2009-12-17 — — US disclosed
US-20090312305-A1 BICYCLIC COMPOUNDS HAVING ACTIVITY AT THE CXCR4 RECEPTOR ALLERGAN, INC. (US) 2009-12-17 — — 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-20090312305-A1 BICYCLIC COMPOUNDS HAVING ACTIVITY AT THE CXCR4 RECEPTOR CXCR4, CXCR2, CXCL12 EHMT2 4669/4885KDM1A 4804/4885RCOR1 3069/4885

“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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