SCHEMBL766707

SCHEMBL766707

CCOC(=O)c1cc(-c2ccc(C(F)(F)F)cc2)on1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACR P10323 2/20 0.55
MAPT P10636 6/20 0.53
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 1/20 0.53
HSP90AA1 P07900 1/20 0.53
CRHBP P24387 1/20 0.53
KMT2A Q03164 1/20 0.53
CRHR2 Q13324 1/20 0.53
TRPV1 Q8NER1 1/20 0.52
FAAH O00519 2/20 0.50
NOTUM Q6P988 1/20 0.50
TP53 P04637 3/20 0.49
POLB P06746 1/20 0.48
MLYCD O95822 1/20 0.48
LMNA P02545 1/20 0.47
PPARD Q03181 1/20 0.47
PPARA Q07869 1/20 0.47
THRB P10828 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL1686535 0.88 ACR (0.56) ACRMAPTTP53POLBLMNA
SCHEMBL29775668 0.86 MAPT (0.57) ACRMAPTKDM4EMEN1KMT2A
SCHEMBL2108368 0.86 MAPT (0.57) ACRMAPTKDM4EMEN1KMT2A
SCHEMBL1686290 0.86 ACR (0.54) ACRMAPTTP53POLBLMNA
SCHEMBL1686391 0.85 TP53 (0.62) ACRMAPTKDM4EMEN1KMT2A
SCHEMBL29197994 0.85 ACR (0.60) ACRMAPTMEN1KMT2ATP53
SCHEMBL13361728 0.84 ACR (0.57) ACRMAPTMEN1KMT2ATP53
SCHEMBL21523600 0.83 ACR (0.56) ACRMAPTTP53POLBLMNA
SCHEMBL1686298 0.83 NOTUM (0.55) ACRMAPTNOTUMTP53POLB
SCHEMBL1686347 0.82 POLB (0.66) ACRMAPTNOTUMTP53POLB

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 72 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117417334-A Azole derivative containing isoxazole structure, and preparation method and application thereof 沈阳药科大学 2024-01-19 CN disclosed
EP-3798217-B1 PIPERIDINE CXCR7 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2023-02-22 EP disclosed
CN-109563085-B Piperidine CXCR7 receptor modulators 爱杜西亚药品有限公司 2022-08-09 CN disclosed
CN-110563717-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
WO-2004091604-A1 COMPOUNDS THAT MODULATE PPAR ACTIVITY AND METHODS OF PREPARATION WARNER-LAMBERT COMPANY LLC (US) 2004-10-28 WO disclosed
US-20040209936-A1 Compounds that modulate PPAR activity and methods of preparation BRATTON LARRY D (US) 2004-10-21 US disclosed
US-20040176383-A1 Substituted heterocyclic compounds CV THERAPEUTICS, INC. 2004-09-09 US disclosed
WO-2004067506-A2 SUBSTITUTED HETEROCYCLIC COMPOUNDS CV THERAPEUTICS INC. (US) 2004-08-12 WO disclosed
EP-1406898-A1 SUBSTITUTED PIPERAZINE COMPOUNDS AND THEIR USE AS FATTY ACID OXIDATION INHIBITORS CV THERAPEUTICS, INC. (US) 2004-04-14 EP disclosed
US-20030225158-A1 Compounds that modulate PPAR activity and methods for their preparation WARNER-LAMBERT COMPANY 2003-12-04 US disclosed
WO-2003084916-A2 COMPOUNDS THAT MODULATE PPAR ACTIVITY AND METHODS FOR THEIR PREPARATION WARNER-LAMBERT COMPANY LLC (US) 2003-10-16 WO disclosed
US-20030181352-A1 Substituted heterocyclic compounds CV THERAPEUTICS, INC. 2003-09-25 US disclosed
US-20030176447-A1 Substituted heterocyclic compounds CV THERAPEUTICS, INC. 2003-09-18 US disclosed
WO-2003008411-A1 SUBSTITUTED PIPERAZINE COMPOUNDS AND THEIR USE AS FATTY ACID OXIDATION INHIBITORS CV THERAPEUTICS, INC. (US) 2003-01-30 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 (8 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-20030181352-A1 Substituted heterocyclic compounds DLD, LPL, HDLBP ACR 1495/4885MAPT 4808/4885KDM4E 3386/4885
US-20030176447-A1 Substituted heterocyclic compounds DLD, LPL, HDLBP ACR 1495/4885MAPT 4808/4885KDM4E 3386/4885
US-20040176383-A1 Substituted heterocyclic compounds DLD, LPL, HDLBP ACR 1495/4885MAPT 4808/4885KDM4E 3386/4885
US-11306078-B2 Piperidine CXCR7 receptor modulators CXCR1, CXCR5, ACKR3 ACR 1216/4885MAPT 4752/4885KDM4E 3969/4885
US-20040209936-A1 Compounds that modulate PPAR activity and methods of preparation PPARA, PPARG, PPARD ACR 3146/4885MAPT 4652/4885KDM4E 2473/4885
US-20030225158-A1 Compounds that modulate PPAR activity and methods for their preparation GPR119, PPARA, PPARG ACR 1974/4885MAPT 4792/4885KDM4E 2934/4885
US-20200385373-A1 PIPERIDINE CXCR7 RECEPTOR MODULATORS CXCR1, CXCR5, ACKR3 ACR 1216/4885MAPT 4752/4885KDM4E 3969/4885
US-10752620-B2 Piperdine CXCR7 receptor modulators CXCR1, CXCR5, ACKR3 ACR 1239/4885MAPT 4746/4885KDM4E 4194/4885

“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.