SCHEMBL3195671

SCHEMBL3195671

CN1C2CCC1CN(C(=O)Cn1ncc3c1-c1cc(Cl)ccc1OC3)C2

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ TP53 P04637 7/20 0.51
▸ TSHR P16473 1/20 0.50
▸ POLB P06746 1/20 0.49
▸ MAPT P10636 3/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ GAA P10253 2/20 0.47
▸ THRB P10828 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.45
▸ L3MBTL1 Q9Y468 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
SCHEMBL3200470 0.78 MAPT (0.54) MEN1CYP1A2CYP2C9KMT2ATP53
SCHEMBL5321302 0.76 MAPT (0.39) MEN1CYP1A2CYP2C9KMT2ATP53
SCHEMBL3185770 0.75 POLB (0.74) MEN1CYP1A2CYP2C9KMT2ATP53
SCHEMBL3188322 0.73 POLB (0.66) MEN1CYP1A2CYP2C9KMT2ATP53
SCHEMBL3180252 0.73 POLB (0.65) MEN1CYP1A2CYP2C9KMT2ATP53
SCHEMBL3189064 0.73 POLB (0.65) MEN1CYP1A2CYP2C9KMT2ATP53
SCHEMBL3203528 0.73 MEN1 (0.63) MEN1CYP1A2CYP2C9KMT2ATP53
SCHEMBL3178163 0.72 MAPT (0.50) MEN1CYP1A2CYP2C9KMT2ATP53
SCHEMBL3191364 0.71 POLB (0.50) MEN1CYP1A2CYP2C9KMT2ATP53
SCHEMBL9537880 0.71 MAPT (0.51) MEN1CYP1A2CYP2C9KMT2ATP53

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-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

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 4362/4885CYP1A2 4310/4885CYP2C9 4317/4885

“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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