SCHEMBL3188340

SCHEMBL3188340

CC1CCCC(C)N1CCCNC(=O)Cn1ncc2c1-c1ccccc1OC2

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ERAP1 Q9NZ08 1/20 0.58
▸ ATM Q13315 1/20 0.57
▸ KMT2A Q03164 3/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ MAPT P10636 7/20 0.53
▸ TP53 P04637 3/20 0.53
▸ ALDH1A1 P00352 3/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ GAA P10253 1/20 0.52
▸ MAPK1 P28482 1/20 0.51
▸ TSHR P16473 3/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ PKM P14618 1/20 0.50
▸ THRB P10828 1/20 0.49

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
SCHEMBL3185487 0.89 KMT2A (0.59) ERAP1ATMKMT2AMEN1MAPT
SCHEMBL3191319 0.86 TSHR (0.54) KMT2AMEN1MAPTTP53ALDH1A1
SCHEMBL3188636 0.85 MEN1 (0.55) KMT2AMEN1MAPTTP53ALDH1A1
SCHEMBL3191775 0.85 MEN1 (0.51) KMT2AMEN1MAPTTP53ALDH1A1
SCHEMBL3188506 0.84 MAPT (0.58) KMT2AMEN1MAPTTP53ALDH1A1
SCHEMBL3191639 0.84 KMT2A (0.54) KMT2AMEN1MAPTTP53ALDH1A1
SCHEMBL3186400 0.84 TSHR (0.60) KMT2AMEN1MAPTTP53ALDH1A1
SCHEMBL3179798 0.84 MAPT (0.59) KMT2AMEN1MAPTTP53ALDH1A1
SCHEMBL3191697 0.82 THRB (0.57) KMT2AMEN1MAPTTP53ALDH1A1
SCHEMBL3191805 0.82 TSHR (0.69) KMT2AMEN1MAPTTP53ALDH1A1

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 ERAP1 3401/4885ATM 3561/4885KMT2A 3838/4885

“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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