SCHEMBL6861732

SCHEMBL6861732

O=C(NCc1ccc(C(F)(F)F)cc1)C1CCCNC1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.62
KCNH2 Q12809 4/20 0.53
MC4R P32245 1/20 0.52
P2RX7 Q99572 4/20 0.48
HDAC6 Q9UBN7 2/20 0.48
ALDH1A1 P00352 2/20 0.48
USP2 O75604 1/20 0.48
HPGD P15428 1/20 0.48
HDAC1 Q13547 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
HRH3 Q9Y5N1 1/20 0.45

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
SCHEMBL21541003 1.00 HTR2C (0.62) HTR2CKCNH2MC4RP2RX7HDAC6
SCHEMBL21540803 0.88 MC4R (0.50) HTR2CMC4RALDH1A1
SCHEMBL26154086 0.85 ALDH1A1 (0.65) KCNH2MC4RP2RX7HDAC6ALDH1A1
SCHEMBL4035356 0.84 ALDH1A1 (0.64) HTR2CKCNH2MC4RP2RX7HDAC6
SCHEMBL20811287 0.84 CHRM3 (0.49) HTR2CKCNH2MC4RP2RX7ALDH1A1
SCHEMBL20790410 0.84 CHRM3 (0.49) HTR2CKCNH2MC4RP2RX7ALDH1A1
SCHEMBL20790409 0.84 CHRM3 (0.49) HTR2CKCNH2MC4RP2RX7ALDH1A1
SCHEMBL5534711 0.84 HDAC6 (0.66) KCNH2P2RX7HDAC6ALDH1A1USP2
Hydrochloric Acid SCHEMBL20790549 0.83 CHRM3 (0.48) HTR2CKCNH2MC4RP2RX7ALDH1A1
Hydrochloric Acid SCHEMBL20790547 0.83 CHRM3 (0.48) HTR2CKCNH2MC4RP2RX7ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118184572-A Preparation of novel HsClpP agonists and application thereof in anti-inflammatory and anti-tumor 四川大学 2024-06-14 CN disclosed
US-6797820-B2 HYDROXAMATE DERIVATIVES THAT INHIBIT PEPTIDYL DEFORMYLASE (PDF), ANTIMICROBIALS AND ANTIBIOTICS VICURON PHARMACEUTICALS INC. 2004-09-28 US disclosed
EP-1237862-A1 SUCCINATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE AND PREPARATION Versicor, Inc. (US) 2002-09-11 EP disclosed
US-20020115863-A1 Novel succinate compounds, compositions and methods of use and preparation VICURON HOLDINGS LLC 2002-08-22 US disclosed
WO-2001044179-A1 NOVEL SUCCINATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE AND PREPARATION VERSICOR, INC. (US) 2001-06-21 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-20020115863-A1 Novel succinate compounds, compositions and methods of use and preparation PDF, MMP2, SDHA HTR2C 1772/4885KCNH2 4789/4885MC4R 4159/4885

“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.