SCHEMBL3200469

SCHEMBL3200469

CCN(CC)CCNC(=O)Cn1ncc2c1-c1ccccc1OC2

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.67
▸ KMT2A Q03164 2/20 0.67
▸ MAPT P10636 7/20 0.58
▸ TP53 P04637 5/20 0.58
▸ TSHR P16473 2/20 0.57
▸ ALDH1A1 P00352 3/20 0.57
▸ KDM4E B2RXH2 2/20 0.57
▸ GAA P10253 1/20 0.57
▸ MAPK1 P28482 2/20 0.56
▸ THRB P10828 1/20 0.55
▸ PKM P14618 1/20 0.54
▸ POLB P06746 2/20 0.53
▸ LMNA P02545 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ BLM P54132 1/20 0.51

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
SCHEMBL13417542 0.90 MEN1 (0.63) MEN1KMT2AMAPTTP53TSHR
SCHEMBL3195525 0.88 MEN1 (0.66) MEN1KMT2ATP53ALDH1A1THRB
SCHEMBL3188347 0.83 MAPT (0.58) MEN1KMT2AMAPTTP53TSHR
SCHEMBL3189904 0.82 KMT2A (0.56) MEN1KMT2AMAPTTP53TSHR
SCHEMBL3191805 0.81 TSHR (0.69) MEN1KMT2AMAPTTP53TSHR
SCHEMBL3186400 0.81 TSHR (0.60) MEN1KMT2AMAPTTP53TSHR
SCHEMBL3195570 0.80 TP53 (0.56) MEN1KMT2AMAPTTP53TSHR
SCHEMBL3188506 0.80 MAPT (0.58) MEN1KMT2AMAPTTP53TSHR
SCHEMBL3179798 0.79 MAPT (0.59) MEN1KMT2AMAPTTP53TSHR
SCHEMBL13417544 0.79 MEN1 (0.73) MEN1KMT2AMAPTTP53TSHR

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-7671069-B2 Tricyclic, heteroaromatic compounds modulating CXCR4 and/ or CXCR7 CHEMOCENTRYX, INC. (US) 2010-03-02 — — US disclosed
US-20070254915-A1 CXCR4 MODULATORS CHEMOCENTRYX, INC. (US) 2007-11-01 — — US disclosed
WO-2007115232-A2 CXCR4 MODULATORS CHEMOCENTRYX, INC. (US) 2007-10-11 — — 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-20070254915-A1 CXCR4 MODULATORS CXCL12, CXCR4, CXCR1 MEN1 4362/4885KMT2A 3838/4885MAPT 2809/4885

“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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