SCHEMBL19947013

SCHEMBL19947013

CC1CN(C(=O)OC(C)(C)C)CCC1N1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.55
▸ EPHX1 P07099 1/20 0.49
▸ MAPT P10636 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ RECQL P46063 1/20 0.43
▸ ABL1 P00519 1/20 0.42
▸ RIN1 Q13671 1/20 0.42
▸ PREP P48147 2/20 0.41
▸ USP2 O75604 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ GPR119 Q8TDV5 2/20 0.40
▸ PDE4B Q07343 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ PTPN2 P17706 1/20 0.39
▸ PTPN1 P18031 1/20 0.39
▸ PTPN6 P29350 1/20 0.39

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
SCHEMBL19947053 0.98 HPGD (0.52) HPGDEPHX1MAPTMEN1ALDH1A1
SCHEMBL25515735 0.87 HPGD (0.43) HPGDEPHX1MAPTMEN1ALDH1A1
SCHEMBL31691884 0.86 HPGD (0.48) HPGDEPHX1MAPTMEN1ALDH1A1
SCHEMBL24183594 0.86 HPGD (0.56) HPGDEPHX1MAPTMEN1ALDH1A1
SCHEMBL1993166 0.84 HPGD (0.54) HPGDEPHX1MAPTMEN1ALDH1A1
SCHEMBL1993163 0.84 HPGD (0.54) HPGDEPHX1MAPTMEN1ALDH1A1
SCHEMBL31482151 0.84 HPGD (0.42) HPGDEPHX1MAPTMEN1ALDH1A1
SCHEMBL31482119 0.84 HPGD (0.42) HPGDEPHX1MAPTMEN1ALDH1A1
SCHEMBL2202344 0.82 HPGD (0.51) HPGDEPHX1MAPTMEN1ALDH1A1
SCHEMBL2202345 0.82 HPGD (0.51) HPGDEPHX1MAPTMEN1ALDH1A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10246462-B2 Chemokine receptor modulators and uses thereof FLX BIO, INC. (US) 2019-04-02 — — US disclosed
US-10246462-B2 Chemokine receptor modulators and uses thereof FLX BIO, INC. (US) 2019-04-02 — — US disclosed
WO-2018049271-A1 CHEMOKINE RECEPTOR MODULATORS AND USES THEREOF FLX BIO, INC. (US) 2018-03-15 — — WO disclosed
WO-2018049271-A1 CHEMOKINE RECEPTOR MODULATORS AND USES THEREOF FLX BIO, INC. (US) 2018-03-15 — — WO disclosed
US-20180072743-A1 CHEMOKINE RECEPTOR MODULATORS AND USES THEREOF RAPT THERAPEUTICS, INC. 2018-03-15 — — US disclosed
US-20180072743-A1 CHEMOKINE RECEPTOR MODULATORS AND USES THEREOF RAPT THERAPEUTICS, INC. 2018-03-15 — — US disclosed
US-20180072743-A1 CHEMOKINE RECEPTOR MODULATORS AND USES THEREOF RAPT THERAPEUTICS, INC. 2018-03-15 — — 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 (2 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-10246462-B2 Chemokine receptor modulators and uses thereof ACKR3, CCR5, CXCR3 HPGD 490/4885EPHX1 435/4885MAPT 4856/4885
US-20180072743-A1 CHEMOKINE RECEPTOR MODULATORS AND USES THEREOF ACKR3, CCR5, CXCR3 HPGD 490/4885EPHX1 435/4885MAPT 4856/4885

“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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