SCHEMBL6338658

SCHEMBL6338658

CSc1ccc(C(CC=O)c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
ALDH1A1 P00352 6/20 0.43
SLC6A4 P31645 2/20 0.42
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.39
PTGS2 P35354 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
AKR1C3 P42330 3/20 0.38
AKR1C2 P52895 3/20 0.38
AKR1C1 Q04828 1/20 0.38
LMNA P02545 2/20 0.38
TBXA2R P21731 1/20 0.36
PTGER3 P43115 1/20 0.36
PTGER2 P43116 1/20 0.36
PTGDR Q13258 1/20 0.36
KIF11 P52732 1/20 0.36

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
SCHEMBL68782 0.82 HTR2A (0.46) KDM4ECYP2C19
SCHEMBL5995430 0.79 CNR1 (0.45) KMT2AMEN1ALDH1A1CYP2C19LMNA
SCHEMBL14284033 0.79 KMT2A (0.34) KMT2AMEN1HPGD
SCHEMBL7585051 0.78 ALDH1A1 (0.45) KMT2AMEN1ALDH1A1SLC6A4KDM4E
SCHEMBL28772579 0.77 HTR2A (0.59) KMT2AMEN1ALDH1A1SLC6A4TBXA2R
SCHEMBL6340019 0.77 CHRNB2 (0.55) KMT2AMEN1ALDH1A1SLC6A4HPGD
SCHEMBL6701579 0.76 IDO1 (0.46) SLC6A4CYP2C19TBXA2R
SCHEMBL8604578 0.76 MEN1 (0.46) KMT2AMEN1ALDH1A1SLC6A4KDM4E
SCHEMBL6698808 0.75 ACP3 (0.53) KMT2AMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL4975056 0.74 PTGS2 (0.44) PTGS2

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-20050014788-A1 Piperidine derivatives and their use as modulators of chemokine receptor activity (especially ccr5) ASTRAZENECA AB (SE) 2005-01-20 US disclosed
EP-1448524-A1 PIPERIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY (ESPECIALLY CCR5) AstraZeneca AB (SE) 2004-08-25 EP disclosed
WO-2003042177-A1 PIPERIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY (ESPECIALLY CCR5) ASTRAZENECA AB (SE) 2003-05-22 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-20050014788-A1 Piperidine derivatives and their use as modulators of chemokine receptor activity (especially ccr5) CCR5, CCR2, CCL2 KMT2A 4635/4885MEN1 4871/4885ALDH1A1 954/4885

“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.