SCHEMBL9911760

SCHEMBL9911760

COc1cc2nc(NCCCN3CCCC3)nc(NC3CCN(Cc4ccccc4N(C)C)CC3)c2cc1OC

nearest known ligand 0.78

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 19/20 0.78
EHMT2 Q96KQ7 19/20 0.78
RCOR1 Q9UKL0 19/20 0.78
EZH2 Q15910 2/20 0.65
PRMT1 Q99873 2/20 0.65
KMT5A Q9NQR1 1/20 0.61
SPIN1 Q9Y657 1/20 0.59

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
SCHEMBL1428491 0.89 EHMT2 (0.79) KDM1AEHMT2RCOR1EZH2PRMT1
SCHEMBL9911758 0.87 EHMT2 (0.72) KDM1AEHMT2RCOR1EZH2PRMT1
SCHEMBL1428367 0.84 EHMT2 (0.80) KDM1AEHMT2RCOR1EZH2PRMT1
SCHEMBL9911761 0.84 EHMT2 (0.61) KDM1AEHMT2RCOR1EZH2PRMT1
SCHEMBL1427689 0.82 NSD2 (0.66) KDM1AEHMT2RCOR1
SCHEMBL9911842 0.81 EHMT2 (0.76) KDM1AEHMT2RCOR1EZH2PRMT1
SCHEMBL9911759 0.81 EHMT2 (0.65) KDM1AEHMT2RCOR1EZH2PRMT1
SCHEMBL9911818 0.81 EHMT2 (0.66) KDM1AEHMT2RCOR1EZH2PRMT1
SCHEMBL9911766 0.80 EHMT2 (0.77) KDM1AEHMT2RCOR1EZH2PRMT1
SCHEMBL15280227 0.80 EHMT2 (1.00) KDM1AEHMT2RCOR1EZH2PRMT1

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-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
WO-2009143058-A1 BICYCLIC COMPOUNDS HAVING ACTIVITY AT THE CXCR4 RECEPTOR ALLERGAN, INC. (US) 2009-11-26 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-20090312305-A1 BICYCLIC COMPOUNDS HAVING ACTIVITY AT THE CXCR4 RECEPTOR CXCR4, CXCR2, CXCL12 KDM1A 4804/4885EHMT2 4669/4885RCOR1 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.