SCHEMBL1738337

SCHEMBL1738337

CCOC(=O)C(=O)CC(=O)c1ccccc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
CTNNB1 P35222 3/20 0.46
WNT3A P56704 3/20 0.46
KCNK3 O14649 1/20 0.45
KCNK9 Q9NPC2 1/20 0.45
TSHR P16473 1/20 0.44
EPHX2 P34913 3/20 0.43
PPARG P37231 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ERCC5 P28715 1/20 0.42
FEN1 P39748 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
F2R P25116 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TAS2R14 Q9NYV8 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL29775613 1.00 LMNA (0.46) LMNAGAACTNNB1WNT3AKCNK3
SCHEMBL401715 0.85 LMNA (0.49) LMNAGAACTNNB1WNT3AKCNK3
SCHEMBL5837400 0.82 TSHR (0.49) LMNAGAACTNNB1WNT3AKCNK3
SCHEMBL1739431 0.81 ERCC5 (0.61) LMNAGAATSHRNPSR1ERCC5
SCHEMBL28342356 0.81 TSHR (0.47) LMNAGAATSHRERCC5FEN1
SCHEMBL30271604 0.81 ERCC5 (0.61) LMNAGAATSHRNPSR1ERCC5
SCHEMBL1739513 0.80 ERCC5 (0.65) LMNAGAATSHRERCC5FEN1
SCHEMBL15869863 0.80 NLRP3 (0.39) EPHX2PPARGNPSR1ALDH1A1POLB
SCHEMBL20438075 0.79 NPC1 (0.50) LMNAGAATSHRNPSR1ERCC5
SCHEMBL18187531 0.79 CTNNB1 (0.43) GAACTNNB1WNT3ATSHREPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3798217-B1 PIPERIDINE CXCR7 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2023-02-22 EP disclosed
CN-110563717-B Piperidine CXCR7 receptor modulators 爱杜西亚药品有限公司 2022-08-09 CN disclosed
CN-109563085-B Piperidine CXCR7 receptor modulators 爱杜西亚药品有限公司 2022-08-09 CN disclosed
US-11306078-B2 Piperidine CXCR7 receptor modulators IDORSIA PHARMACEUTICALS LTD. (CH) 2022-04-19 US disclosed
EP-3490986-B1 PIPERIDINE CXCR7 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-11-24 EP disclosed
EP-3798217-A1 PIPERIDINE CXCR7 RECEPTOR MODULATORS Idorsia Pharmaceuticals Ltd (CH) 2021-03-31 EP disclosed
US-20200385373-A1 PIPERIDINE CXCR7 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2020-12-10 US disclosed
US-10752620-B2 Piperdine CXCR7 receptor modulators IDORSIA PHARMACEUTICALS LTD. (CH) 2020-08-25 US disclosed
CN-110563717-A piperidine CXCR7receptor modulators 爱杜西亚药品有限公司 2019-12-13 CN disclosed
US-20190169180-A1 PIPERDINE CXCR7 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD. (CH) 2019-06-06 US disclosed
EP-3490986-A1 PIPERIDINE CXCR7 RECEPTOR MODULATORS Idorsia Pharmaceuticals Ltd (CH) 2019-06-05 EP disclosed
CN-109563085-A piperidine CXCR7 receptor modulators 爱杜西亚药品有限公司 2019-04-02 CN disclosed
WO-2018019929-A1 PIPERIDINE CXCR7 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2018-02-01 WO disclosed
EP-2390252-A1 New pyrazole derivatives Almirall, S.A. (ES) 2011-11-30 EP disclosed
EP-2390252-A1 New pyrazole derivatives Almirall, S.A. (ES) 2011-11-30 EP disclosed
WO-2011144338-A1 PYRAZOLE DERIVATIVES AS S1P1 AGONISTS ALMIRALL, S.A. (ES) 2011-11-24 WO disclosed
WO-2011144338-A1 PYRAZOLE DERIVATIVES AS S1P1 AGONISTS ALMIRALL, S.A. (ES) 2011-11-24 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 (4 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-11306078-B2 Piperidine CXCR7 receptor modulators CXCR1, CXCR5, ACKR3 LMNA 4843/4885GAA 4819/4885CTNNB1 2369/4885
US-20200385373-A1 PIPERIDINE CXCR7 RECEPTOR MODULATORS CXCR1, CXCR5, ACKR3 LMNA 4843/4885GAA 4819/4885CTNNB1 2369/4885
US-20190169180-A1 PIPERDINE CXCR7 RECEPTOR MODULATORS CXCR1, CXCR5, ACKR3 LMNA 4841/4885GAA 4812/4885CTNNB1 2353/4885
US-10752620-B2 Piperdine CXCR7 receptor modulators CXCR1, CXCR5, ACKR3 LMNA 4841/4885GAA 4812/4885CTNNB1 2353/4885

“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.