SCHEMBL3191697

SCHEMBL3191697

CCC1CCCCN1CCCNC(=O)Cn1ncc2c1-c1ccccc1OC2

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.57
▸ MAPT P10636 5/20 0.55
▸ PKM P14618 2/20 0.55
▸ GAA P10253 2/20 0.55
▸ LMNA P02545 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ KMT2A Q03164 3/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ TSHR P16473 3/20 0.51
▸ KDM4E B2RXH2 3/20 0.51
▸ POLB P06746 2/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ TP53 P04637 1/20 0.49
▸ ALDH1A1 P00352 3/20 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
SCHEMBL3187139 0.90 KMT2A (0.55) THRBMAPTPKMGAALMNA
SCHEMBL3188636 0.85 MEN1 (0.55) MAPTPKMGAALMNAKMT2A
SCHEMBL3188506 0.84 MAPT (0.58) THRBMAPTPKMGAALMNA
SCHEMBL3179798 0.84 MAPT (0.59) MAPTPKMGAALMNAL3MBTL1
SCHEMBL3191319 0.82 TSHR (0.54) THRBMAPTPKMGAALMNA
SCHEMBL3188340 0.82 ERAP1 (0.58) THRBMAPTPKMGAAKMT2A
SCHEMBL3191805 0.82 TSHR (0.69) THRBMAPTPKMGAALMNA
SCHEMBL3186400 0.82 TSHR (0.60) THRBMAPTPKMGAALMNA
SCHEMBL3191775 0.81 MEN1 (0.51) MAPTPKMGAALMNAKMT2A
SCHEMBL3201387 0.80 TP53 (0.55) MAPTPKMGAALMNAKMT2A

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 THRB 1690/4885MAPT 2809/4885PKM 4050/4885

“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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