SCHEMBL3598951

SCHEMBL3598951

CCOC(=O)CC(c1ccccc1)C1CCN(OC(=O)C(C)(C)C)CC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
LMNA P02545 1/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 3/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
FFAR1 O14842 1/20 0.40
GAA P10253 1/20 0.39
SLC6A2 P23975 3/20 0.39
SLC6A3 Q01959 3/20 0.39
SLC6A4 P31645 2/20 0.39
NPY2R P49146 1/20 0.37
CACNA1A O00555 1/20 0.37
CACNA2D1 P54289 1/20 0.37
CACNB1 Q02641 1/20 0.37

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
SCHEMBL3594985 0.82 PKM (0.39) FFAR1
SCHEMBL3601680 0.81 RIPK1 (0.36) LMNAKDM4ETSHRFFAR1SLC6A2
SCHEMBL29706736 0.80 MEN1 (0.52) ALDH1A1LMNAHPGDSMN1; SMN2TSHR
SCHEMBL13547436 0.80 ALDH1A1 (0.44) ALDH1A1LMNAKDM4EHPGDSMN1; SMN2
SCHEMBL4977533 0.79 CCL5 (0.52) ALDH1A1LMNA
SCHEMBL27740571 0.78 CYP2D6 (0.36) ALDH1A1TSHRGAA
SCHEMBL28754972 0.77 CYP3A4 (0.42) KDM4ETSHR
SCHEMBL25152914 0.75 FFAR1 (0.52) ALDH1A1KDM4ESMN1; SMN2FFAR1
SCHEMBL21384665 0.73 MMP13 (0.48) ALDH1A1KDM4ENPC1RAB9AGAA
SCHEMBL21381972 0.72 CACNA1B (0.41) ALDH1A1LMNAKDM4EFFAR1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100010007-A1 PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 ASTRAZENECA AB (SE) 2010-01-14 US disclosed
US-7615555-B2 Piperidine derivatives as modulators of chemokine receptor CCR5 ASTRAZENECA AB (SE) 2009-11-10 US disclosed
US-20070167442-A1 Chemical compounds ASTRAZENECA AB (SE) 2007-07-19 US disclosed
US-20070161646-A1 Piperidine Derivatives and Their Use as Modulators of Chemokine Receptor Activity (Especially CCR5) ASTRAZENECA AB (SE) 2007-07-12 US disclosed
US-7192973-B2 Piperidine derivatives and their use as modulators of chemokine receptor activity (especially CCR5) ASTRAZENECA AB (SE) 2007-03-20 US disclosed
EP-1742934-A2 PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 AstraZeneca AB (SE) 2007-01-17 EP disclosed
WO-2005101989-A2 PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 ASTRAZENECA AB (SE) 2005-11-03 WO disclosed
US-20040267016-A1 Piperidine derivatives and their use as modulators of chemokine receptor activity (especially ccr5) ASTRAZENECA AB (SE) 2004-12-30 US disclosed
EP-1448548-A1 PIPERIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY (ESPECIALLY CCR5) AstraZeneca AB (SE) 2004-08-25 EP disclosed
WO-2003042205-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 (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-20100010007-A1 PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 CCR5, CCR2, CXCR3 ALDH1A1 1094/4885LMNA 3985/4885KDM4E 4607/4885
US-20040267016-A1 Piperidine derivatives and their use as modulators of chemokine receptor activity (especially ccr5) CCR5, CCR2, CCR1 ALDH1A1 741/4885LMNA 2285/4885KDM4E 4686/4885
US-20070161646-A1 Piperidine Derivatives and Their Use as Modulators of Chemokine Receptor Activity (Especially CCR5) CCR5, CCR2, CCL5 ALDH1A1 971/4885LMNA 2038/4885KDM4E 4666/4885
US-20070167442-A1 Chemical compounds CCR5, CXCR3, CX3CR1 ALDH1A1 586/4885LMNA 3639/4885KDM4E 4597/4885

“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.