SCHEMBL3594985

SCHEMBL3594985

CC(C)(C)C(=O)ON1CCC(C(CCO)c2ccccc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
CCL5 P13501 8/20 0.38
CCR5 P51681 3/20 0.38
CYP3A4 P08684 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
RIPK1 Q13546 2/20 0.37
FFAR1 O14842 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL3601680 0.84 RIPK1 (0.36) CCL5CCR5CYP3A4CYP1A2CYP2D6
SCHEMBL3598951 0.82 ALDH1A1 (0.42) FFAR1
SCHEMBL28754972 0.82 CYP3A4 (0.42) CYP3A4CYP1A2CYP2D6RIPK1MEN1
SCHEMBL13547437 0.82 GPR119 (0.53) PKMCCL5CCR5
SCHEMBL9539605 0.75 FFAR1 (0.49) PKMCTDSP1CYP2D6FFAR1MEN1
SCHEMBL3591668 0.74 CCL5 (0.56) CCL5CCR5
SCHEMBL4976049 0.74 CCL5 (0.56) CCL5CCR5
SCHEMBL28810057 0.74 KMT2A (0.48) CYP3A4CYP2D6MEN1KMT2A
SCHEMBL27963052 0.73 RPS6KB1 (0.48)
SCHEMBL5439442 0.72 SMN1; SMN2 (0.60) CYP3A4CYP2D6MEN1KMT2A

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 PKM 1813/4885CTDSP1 1431/4885CCL5 8/4885
US-20040267016-A1 Piperidine derivatives and their use as modulators of chemokine receptor activity (especially ccr5) CCR5, CCR2, CCR1 PKM 1672/4885CTDSP1 1410/4885CCL5 4/4885
US-20070161646-A1 Piperidine Derivatives and Their Use as Modulators of Chemokine Receptor Activity (Especially CCR5) CCR5, CCR2, CCL5 PKM 1559/4885CTDSP1 1475/4885CCL5 3/4885
US-20070167442-A1 Chemical compounds CCR5, CXCR3, CX3CR1 PKM 1443/4885CTDSP1 3805/4885CCL5 8/4885

“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.